This paper examines whether classical extensional mereology is adequate for formalizing the whole–parts relation in quantum chemical systems. Although other philosophers have argued that classical extensional and summative mereology does not adequately formalize whole–parts relation within organic wholes and social wholes, such critiques often assume that summative mereology is appropriate for formalizing the whole–parts relation in inorganic wholes such as atoms and molecules. However, my discussion of atoms and molecules as they are conceptualized in (...) quantum chemistry will establish that standard mereology cannot adequately fulfill this task, since the properties and behavior of such wholes are context-dependent and cannot simply be reduced to the summative properties of their parts. To the extent that philosophers of chemistry have called for the development of an alternative mereology for quantum chemical systems, this paper ends by proposing behavioral mereology as a promising step in that direction. According to behavioral mereology, considerations of what constitutes a part of a whole is dependent upon the observable behavior displayed by these entities. Thus, relationality and context-dependence are stipulated from the outset and this makes behavioral mereology particularly well-suited as a mereology of quantum chemical wholes. The question of which mereology is appropriate for formalizing the whole–parts relation in quantum chemical systems is relevant to contemporary philosophy of chemistry, since this issue is related to the more general questions of the reducibility of chemical wholes to their parts and of the reducibility of chemistry to physics, which have been of central importance within the philosophy of chemistry for several decades. More generally, this paper puts contemporary discussions of mereology within the philosophy of chemistry into a broader historical and philosophical context. In doing so, this paper also bridges the gap between formal mereology, conceived as a branch of formal ontology, and “applied” mereology, conceived as a branch of philosophy of science. (shrink)

In his book, 'History as a Science and the System of the Sciences', Thomas Seebohm articulates the view that history can serve to mediate between the sciences of explanation and the sciences of interpretation, that is, between the natural sciences and the human sciences. Among other things, Seebohm analyzes history from a phenomenological perspective to reveal the material foundations of the historical human sciences in the lifeworld. As a preliminary to his analyses, Seebohm examines the formal and material presuppositions of (...) phenomenological epistemology, as well as the emergence of the human sciences and the traditional distinctions and divisions that are made between the natural and the human sciences. -/- As part of this examination, Seebohm devotes a section to discussing Husserl’s formal mereology because he understands that a reflective analysis of the foundations of the historical sciences requires a reflective analysis of the objects of the historical sciences, that is, of concrete organic wholes (i.e., social groups) and of their parts. Seebohm concludes that Husserl’s mereological ontology needs to be altered with regard to the historical sciences because the relations between organic wholes and their parts are not summative relations. Seebohm’s conclusion is relevant for the issue of the reducibility of organic wholes such as social groups to their parts and for the issue of the reducibility of the historical sciences to the lower-order sciences, that is, to the sciences concerned with lower-order ontologies. -/- In this paper, I propose to extend Seebohm’s conclusion to the ontology of chemical wholes as object of quantum chemistry and to argue that Husserl’s formal mereology is descriptively inadequate for this regional ontology as well. This may seem surprising at first, since the objects studied by quantum chemists are not organic wholes. However, my discussion of atoms and molecules as they are understood in quantum chemistry will show that Husserl’s classical summative and extensional mereology does not accurately capture the relations between chemical wholes and their parts. This conclusion is relevant for the question of the reducibility of chemical wholes to their parts and of the reducibility of chemistry to physics, issues that have been of central importance within the philosophy of chemistry for the past several decades. (shrink)

Mulliken proposed an Aufbauprinzip for the molecules on the basis of molecular spectroscopy while establishing, point by point, his concept of molecular orbit. It is the concept of electronic state which becomes the lever for his attribution of electronic configurations to a molecule. In 1932, the concept of orbit was transmuted into that of the molecular orbital to integrate the probabilistic approach of Born and to achieve quantitative accuracy. On the basis of the quantum works of Hund, Wigner, Lennard-Jones (...) and group theory, he suggested the fragment method to establish the characteristics of molecular orbital for polyatomic molecules. These developments make it possible to bring elements of thought on the relation between a molecular whole and its parts . An operational realism combined with the second law of thermodynamics can pave the way for interesting tracks in the mereological study of chemical systems. (shrink)

The emerging field of quantum mereology considers part-whole relations in quantum systems. Entangled quantum systems pose a peculiar problem in the field, since their total states are not reducible to that of their parts. While there exist several established proposals for modelling entangled systems, like monistic holism or relational holism, there is considerable unclarity, which further positions are available. Using the lambda operator and plural logic as formal tools, we review and develop conceivable (...) models and evaluate their consistency and distinctness. The main result is an exhaustive taxonomy of six distinct and precise models that both provide information about the mereological features as well as about the entangled property. The taxonomy is well-suited to serve as the basis for future systematic investigations. (shrink)

Periodic tables (PTs) are the ‘ultimate paper tools’ of general and inorganic chemistry. There are three fields of open questions concerning the relation between PTs and physics: (i) the relation between the chemical facts and the concept of a periodic system (PS) of chemical elements (CEs) as represented by PTs; (ii) the internal structure of the PS; (iii)␣The relation between the PS and atomistic quantum chemistry. The main open questions refer to (i). The fuzziness of the concepts (...) of chemical properties and of chemical similarities of the CE and their compounds guarantees the autonomy of chemistry. We distinguish between CEs, Elemental Stuffs and Elemental Atoms. We comment on the basic properties of the basic elements. Concerning (ii), two sharp physical numbers (nuclear charge and number of valence electrons) and two coarse fuzzy ranges (ranges of energies and of spatial extensions of the atomic orbitals, AOs) characterize the atoms of the CEs and determine the two-dimensional structure of the PS. Concerning (iii), some relevant ‘facts’ about and from quantum chemistry are reviewed and compared with common ‘textbook facts’. What counts in chemistry is the whole set of nondiffuse orbitals in low-energy average configurations of chemically bonded atoms. Decisive for the periodicity are the energy gaps between the core and valence shells. Diffuse Rydberg orbitals and minute spin–orbit splittings are important in spectroscopy and for philosophers, but less so in chemical science and for the PS. (shrink)

A novel non-classical mereological concept built up by blending the Metaphysics of Xavier Zubiri and the Quantum Theory of Atoms in Molecules of R. F. W. Bader is proposed. It is argued that this philosophical concept is necessary to properly account for what happens in a chemical reaction. From the topology of the gradient of the laplacian of the electronic charge density, \\) within the QTAIM framework, different “atomic graphs” are found for each atom depending on the molecular (...) context, reflecting how the whole molecule affects each atom. In this way, the whole molecular system imposes certain geometry onto each atom, and every atom exhibits different ontological modality. On the Metaphysical side, for X. Zubiri real things are system of different notes. The physical essence is the subsystem of essential notes with a coherence unity. Every note is grounded on the essence. The unity of the system is present somehow in every note-of beforehand, and every essential note-of turns towards the other. The essence determines the position of each note within the system, and hence is the grounding for modality of the notes. By conflating both “theories” and taking the atoms as essential notes, we propose the concept of “Molecule in atoms-of” or “atoms-of in Molecules”. Within the course of a chemical reaction the atoms-of modified their “of” as required by the new molecular unity being formed, and eventually change their modality. The validity to the Zubiri’s statements, is attained by evaluating necessity and possibility in a set-up of finite accessible “possible worlds”. (shrink)

One of the consequences of the renewed interest in philosophical aspects of chemistry has been the corresponding renewed interest in the periodic system of the elements which embodies so much chemical knowledge in an implicit form.We have therefore decided to further promote scholarship on the periodic system by compiling a bibliography of previously published material. As the title of this article implies, we restrict ourselves to secondary sources. Readers interested in primary material can consult a number of useful references (...) for this purpose. These include the classical treatment on the History of the periodic system by van Spronsen as well as Mazurs’s compilation of over 700 forms of the periodic system. Mazurs also includes a detailed bibliography of articles and books in several different languages. Additional sources of primary articles which come to mind include David Knight’s Classics in the History of Chemistry, Carmen Giunta’s web pages for the history of chemistry and entries under individual scientists in the Dictionary of Scientific Biography. Turning to the present compilation we do not claim this to be a comprehensive list, since it partly reflects the interests of the senior author (E.R.S.), namely the relationship between the periodic system and quantum mechanics. For example, in addition to articles specifically on the periodic system we include a number of articles which deal with the related themes of electronic configurations of the elements. This bias also explains the disproportionate number of references to the work of the senior author.We have tried to include as many as possible of the articles on the periodic system which have appeared in the philosophy of science literature. These include Bensaude, Christie, Hettema and Kuipers, Kultgen, Lipton, Maher, Scerri, Shapere and Sundaram, among others. (shrink)

En este trabajo se define formamente el concepto de representacion en química utilizando homomorfismos desde estructuras algebraicas, que llamamos sistemas de tipo C, en otras estructuras especiales de símbolos muy relacionados con los que son habituales en la qímica experimental. Para la definicion de los sistemas de tipo C se ha seleccionado un conjunto minimo de relaciones y funciones, que son necesarias para expresar proposiciones significativas en química. Tambien se define un lenguaje formal de primer orden adecuado a los sistemas (...) de tipo C, que llamamos L(C). EI resultado principal que se demuestra es que toda representación que verifica las mismas sentencias de L(C) que un sistema de tipo C, es necesariamente isomorfo a él. Se concluye por lo tanto que puede existir un problema linguístico subyacente en la aplicacion que de la mecaníca cuántica se hace en la química teórica.The concept of representation in chemistry bas been formallv defined by means of homomorphisms from algebraical structures, which we call type-C systems, to some special sets of symbols which can be related to the symbols ordinarily used in experimental chemistry. A minimum number of relations and functions, which would suffice to express significant propositions in chemistry, have been chosen to define type-C systems. A first order formal language L(C) adequate to type-C systems has been defined. It has been shown that each representation that verifies the same sentences of L(C) as a type-C system is necessarily isomorphic to it. It is concluded that a systematic study of the representation problem in chemistry is in order because a deep language problem underlies the application of quantum mechanies to chemical problems. (shrink)

Mereology is the logic of part—whole concepts as they are used in many different contexts. The old chemical metaphysics of atoms and molecules seems to fit classical mereology very well. However, when functional attributes are added to part specifications and quantum mechanical considerations are also added, the rules of classical mereology are breached in chemical discourses. A set theoretical alternative mereology is also found wanting. Molecular orbital theory requires a metaphysics of affordances that (...) also stands outside classical mereology. (shrink)

The present paper has three closely related aims. We first argue that Agazzi’s scientific realism about Quantum Mechanics is in line with Selleri’s and Tarozzi’s proposal of Quantum Waves. We then go on to formulate rigorously different metaphysical principles such as property compositional determinateness and mereological extensionalism. We argue that, contrary to widespread agreement, realism about Quantum Mechanics actually refutes only the former. Indeed we even formulate a new quantum mechanical argument in favor of extensionalism. We (...) conclude by noting that, given the results of the work, Agazzi’s particular attitude towards Quantum Mechanics is still one of the most promising theoretical perspectives. (shrink)

The article analyzes the effectiveness of quantum theories of mental experience in relation to two ontological problems - the problem of the existence of consciousness in the material world and the problem of the interaction of consciousness and body. A critical analysis of the quantum theories of consciousness by Penrose-Hameroff, M. Tegmark, G. Stapp, M. Fischer and M.B. Mensky shows that they fail to fully explain how complex physical systems generate mental experience without violating the principle of (...) causal closure of the physical world and the principle of epistemological completeness of physics. Quantum mechanics provides specific processes that are the physical basis of the psyche, but do not explain the phenomenal aspect of subjective reality. Nevertheless, the Heisenberg uncertainty principle gives an understanding of how the interaction of consciousness and body within the scientific picture of the world can be carried out without violating the law of energy conservation. It is shown that the quantum theories of consciousness currently being developed have a predominantly panprotopsychic character, which faces a problem due to the fact that the protomental property of physical systems must be expressed quantitatively and correspond to the value included in the physical equations. As a result, it is concluded that in order to develop quantum theories of consciousness more effectively, it is necessary to give an emergent character, not jumping from the quantum level to the psychic, but explaining the mechanism of the emergence of systemic properties during the sequential transition between different ontological regions of existence, including physical, chemical, biological, neurophysiological and psychic. (shrink)

We study the question of how to decompose Hilbert space into a preferred tensor-product factorization without any pre-existing structure other than a Hamiltonian operator, in particular the case of a bipartite decomposition into "system" and "environment." Such a decomposition can be defined by looking for subsystems that exhibit quasi-classical behavior. The correct decomposition is one in which pointer states of the system are relatively robust against environmental monitoring (their entanglement with the environment does not continually and dramatically increase) and remain (...) localized around approximately-classical trajectories. We present an in-principle algorithm for finding such a decomposition by minimizing a combination of entanglement growth and internal spreading of the system. Both of these properties are related to locality in different ways. This formalism could be relevant to the emergence of spacetime from quantum entanglement. (shrink)

The ideas of quantum simulation and advances in quantum algorithms to solve quantum chemistry problems have been discussed. Theoretical proposals and experimental investigations both have been studied to gauge the extent to which quantum computation has been applied to solve quantum chemical problems till date. The distinctive features and limitations of the application of quantum simulation on chemical systems and current approaches to define and improve upon standard quantum algorithms have (...) been studied in detail. The possibility and consequences of designing an efficient quantum computer that can address chemical problems have been assessed. The experimental realization of quantum supremacy defies the conventional belief of chemists, that millions of qubits would be required to solve fundamental chemistry problems. It is predicted that quantum simulation of quantum chemistry problems will radically revolutionize this field. (shrink)

At the heart of chemistry lies the periodic system of chemical elements. Despite being the cornerstone of modern chemistry, the overall structure of the periodic system has never been fully understood from an atomic physics point of view. Group-theoretical models have been proposed instead, but they suffer from several limitations. Among others, the identification of the correct symmetry group and its decomposition into subgroups has remained a problem to this day. In an effort to deepen our limited understanding of (...) the periodic law, we have extended the traditional Lie algebraic framework to account for the peculiar degeneracy structure of the periodic system. Starting from the four-dimensional hidden symmetry and accidental degeneracy of the hydrogen atom, as first revealed by Fock in 1935, our research has mainly focussed on the way this SO(4) symmetry of the Coulomb potential gets broken in the periodic system as a consequence of the transformation of the hydrogenic (n, l) filling order to the Madelung (n+l, n) order due to electronic repulsions, relativistic effects and spin-orbit couplings. In this PhD dissertation, a new left-step format of the periodic table is first proposed on the basis of the Madelung rule. Following the particle physics tradition, the chemical elements are then considered as various states of some 'atomic matter', which is described by a non-compact spectrum-generating dynamical Lie group. The chemical elements are shown to form a basis for a single infinite-dimensional degeneracy space of the SO(4,2) ⊗ SU(2) group. An explanation for the period doubling is then proposed in terms of a particular symmetry breaking of the SO(4,2) group to the anti de Sitter SO(3,2) group. The Madelung rule is rationalised on the basis of nonlinear Lie algebras which reflect the screening of the Coulomb hole. This opens new perspectives for a symmetry-based understanding of how the periodic law emerges from its quantum mechanical foundations, and holds the future promise of complementing our current phenomenological approach by a direct atomic physics approach. (shrink)

After Heitler and London published their pioneering work on the application of quantum mechanics to chemistry in 1927, it became an almost unquestioned dogma that chemistry would soon disappear as a discipline of its own rights. Reductionism felt victorious in the hope of analytically describing the chemical bond and the structure of molecules. The old quantum theory has already produced a widely applied model for the structure of atoms and the explanation of the periodic system. This paper (...) will show two examples of the entry of quantum physics into more classical fields of chemistry: inorganic chemistry and physical chemistry. Due to their professional networking, George Hevesy and Michael Polanyi found their ways to Niels Bohr and Fritz London, respectively, to cooperate in solving together some problems of classical chemistry. Their works on rare earth elements and adsorption theory throws light to the application of quantum physics outside the reductionist areas. They support the heuristic and persuasive value of quantum thinking in the 1920–1930s. Looking at Polanyi’s later oeuvre, his experience with adsorption theory could be a starting point of his non-justificationist philosophy. (shrink)

It is well-known that the entangled quantum state of a composite object cannot be reduced to the states of its parts. This quantum holism provides a peculiar challenge to formulate an appropriate mereological model: When a system is in an entangled state, which objects are there on the micro and macro level, and which of the objects carries which properties? This paper chooses a modeling approach to answer these questions: It proceeds from a systematic overview of consistent mereological (...) models for entangled systems and discusses which of them is compatible with the quantum mechanical evidence (where quantum states are understood realistically). It reveals that entangled quantum systems neither describe undivided wholes nor objects that stand in irreducible relations. The appropriate model assumes that the entangled property is an irreducible non-relational plural property carried collectively by the micro objects, while there is no macro object. In this sense, quantum holism is an instance of property holism, not of object holism. (shrink)

Mereology deals with the study of the relations between wholes and parts. In this work we will discuss different developments and open problems related to the formulation of a quantum mereology. In particular, we will discuss different advances in the development of formal systems aimed to describe the whole-parts relationship in the context of quantum theory.

An Aristotelian philosophy of nature offers an alternative to reduction for the conception of the inter-theoretical relationships between molecular chemistry and quantum mechanics. A basic ingredient for such an approach is an ontology of fundamental causal powers, and this work aims to develop such an ontology by drawing on quantum-chemical entities, particularly, the electron density. This notion is central to the Quantum Theory of Atoms in Molecules, a theory of molecular structure developed by Richard F. W. (...) Bader, which describes molecules and atoms in terms precisely of the electron density. Then, by identifying a philosophical tension in Bader’s discourse about the nature of electron density, the work will analyze this central notion in terms of the categorical/dispositional distinction regarding properties. The central idea is that electron density can be conceived as categorical and dispositional at once, and this very characterization can avoid Bader’s philosophical tension. (shrink)

To this day, a hundred and fifty years after Mendeleev's discovery, the overal structure of the periodic system remains unaccounted for in quantum-mechanical terms. Given this dire situation, a handful of scientists in the 1970s embarked on a quest for the symmetries that lie hidden in the periodic table. Their goal was to explain the table's structure in group-theoretical terms. We argue that this symmetry program required an important paradigm shift in the understanding of the nature of chemical (...) elements. The idea, in essence, consisted of treating the chemical elements, not as particles, but as states of a superparticle. We show that the inspiration for this came from elementary particle physics, and in particular from Heisenberg's suggestion to treat the proton and neutron as different states of the nucleon. We provide a careful study of Heisenberg's last paper on the nature of elementary particles, and explain why the Democritean picture of matter no longer applied in modern physics and a Platonic symmetry-based picture was called for instead. We show how Heisenberg's Platonic philosophy came to dominate the field of elementary particle physics, and how it found its culmination point in Gell-Mann's classification of the hadrons in the eightfold way. We argue that it was the success of Heisenberg's approach in elementary particle physics that sparked the group-theoretical approach to the periodic table. We explain how it was applied to the set of chemical elements via a critical examination of the work of the Russian mathematician Abram Ilyich Fet the Turkish-American physicist Asim Orhan Barut, before giving some final reflections. (shrink)

We demonstrate a method for optimizing desired functionality in real complex chemical systems, using a genetic algorithm. The chemical systems studied here are mixtures of amphiphiles, which spontaneously exhibit a complex variety of self-assembled molecular aggregations, and the property optimized is turbidity. We also experimentally resolve the fitness landscape in some hyper-planes through the space of possible amphiphile formulations, in order to assess the practicality of our optimization method. Our method shows clear and significant progress after (...) testing only 1 % of the possible amphiphile formulations. (shrink)

Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a (...) wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental Theory II. Molecular Processes III. Molecular Structure IV. Molecular Properties V. Condensed Matter VI. Biosystems. Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is written for advanced graduate students as well as for professionals in theoretical chemical physics and physical chemistry. The book covers current scientific topics in molecular, nano, material, and bio sciences and provides insights into methodological developments and applications of quantum theory in physics, chemistry, and biology that have become feasible at end of 2011. (shrink)

Until the late 19th century scientists almost always assumed that the world could be described as a rule-based and hence deterministic system or as a set of such systems. The assumption is maintained in many 20th century theories although it has also been doubted because of the breakthrough of statistical theories in thermodynamics (Boltzmann and Gibbs) and other fields, unsolved questions in quantum mechanics as well as several theories forwarded within the social sciences. Until recently it has furthermore (...) been assumed that a rule-based and deterministic system was also predictable if only the rules were known, but this assumption has now been undermined by modern chaos-theory describing rule-based and deterministic, but unpredictable systems, while catastrophe-theory delivers a set of types describing various kinds of instability and conditions for the stability of a given system. Hence the main trait in the theoretical development in the 20th-century science can be described as a basic modification and limitation of some of the fundamental and strong assumptions forwarded in the previous epochs of modern science. Ironically, the very same process has been a process in which the human capacity to intervene in nature has expanded dramatically and mainly with the help of the very same theories, and not least because they allow nature to be described and made manipulable on a lower level and a more fine-grained scale. While the overall theoretical consistency between the various theories has gone, the reach of human intervention in nature has increased based on quite new dimensions whether in the area of physics (e.g.: energy technologies, chemical technologies, nanotechnologies etc.) or biology (ge¬netic manipulation) or in the area of psychology, sociology and culture (artificial simulations of mental processes, new means of communication, implying changes in the social infrastructure and cultural behaviour etc.). While some of these changes and new conditions can be reflected from within the conceptual framework of rule-based systems, albeit more complex than formerly recognized, others seem to give rise to the question of whether there are »systems« and relations between different systems in the world which are not rule-based? For instance, it seems to be obvious that the notion of instability represents a major conceptual break with former theories of rule-based systems, as the stability of the latter is an axiomatically given property implied in the very notion of rule-based systems, while instability can only be the result of external influence which should be explained as the result of another rule-based sy¬stem. While there are no difficulties implied concerning the stability of rule-based systems, the notion of unstable states of a system raises the question of how there can be a system at all if there are no invariant stabilising principles? This is the first question which I will address. And I shall do so by taking two examples of such systems as my point of departure. The first example will be the computer and the second will be ordinary language. In both cases I will argue that the stability of these systems (which are both defined by the existence/presence of human intentions) are provided by the help of - differently organised - redundancy functions which both allow the maintenance of systems in unstable macro-states, suspension of previous rules, underdetermination and overdetermination and generation/emergence/creation of new rules more or less independent of previous rules by the help of optional recursions to the permanently accessible underlying levels as for instance the level of binary representation in computers. Since the notion of redundancy is both controversial as such and often avoided, the concept is discussed (as defined in Claude Shannon's mathematical theory of information and in the semiotic framework of J. J. Greimas) and leading to a more general definition in which the redundancy functions serve to overcome noisy conditions, but at the cost of rule-based stability, determination, and predictability. A second question will be how the notion of rule-generating systems relates to the notion of anticipatory systems and it will be argued that rule-generating systems share some features with an¬ticipatory systems and that the former from a certain viewpoint can be seen as a subclass of the latter, although anticipative features are not necessarily a part of the definition of rule-generating systems. On the other hand, it will be discussed whether anticipatory systems which are not rule-generating systems can exist and it will be argued that the capacity to anticipate is strongly limited if it is not part of a rule-generating system. Therefore, it is concluded that the most powerful anticipatory systems need to be rule-generating systems. (shrink)

The chemical nature of element 72, subsequently named hafnium, is generally regarded as a prediction from Bohr's theory of the periodic system and hence as a prediction from quantum theory. It is argued that both of these views and in particular the latter are mistaken. The claim in favour of Bohr's theory is weakened by his accommodation of independent chemical arguments and the claim in favour of quantum theory is untenable since the prediction is not strictly (...) deductive. (shrink)

Origin of life on earth transpired once and from then on, it emerges as an endless eternal process. Matter and energy are constants of the cosmos and the hypothesis is that the origin of life is a moment when these constants intertwined or interacted. Energy from the cosmos interacted with inorganic matter to support matter with retention of this riveted energy, as energy to be circulated within the primitive channelized structures to conserve energy by the materialization of the proton homeostasis (...) mechanisms developed from the obtainable inorganic matter. The driver for these processes as we now confirm, exists in the quantum world and through quantum phenomenal processes could have combined these constants to create the magic of life. Primitive earth was a chemical reactive system that triggered a macromolecular evolution by means of open thermodynamic systems, driven by cyclic gradients of temperature, electromagnetic radiation and chemical potentials which sustained life and proto-consciousness in the first life forms driven by the quantum processes. The origin of life is always an intriguing topic but the purpose for finding the cause should never be inclined towards obliterating it; for if that is the case, the further we seek, the farther it will go. (shrink)

This article discusses the peculiar features of quantum entanglement and quantum non-locality within the algebraic approach to relativistic quantum field theory (RQFT). The debate on the ontology of RQFT is considered in the light of these well-known but little discussed features. In particular, this article examines the ontic structural realist understanding of quantum entanglement and quantum non-locality and its contribution to this debate.

Mereological nihilism is the philosophical position that there are no items that have parts. If there are no items with parts then the only items that exist are partless fundamental particles, such as the true atoms (also called philosophical atoms) theorized to exist by some ancient philosophers, some contemporary physicists, and some contemporary philosophers. With several novel arguments I show that mereological nihilism is the correct theory of reality. I will also discuss strong similarities that mereological nihilism has with empirical (...) results in quantum physics. And I will discuss how mereological nihilism vindicates a few other theories, such as a very specific theory of philosophical atomism, which I will call quantum abstract atomism. I will show that mereological nihilism also is an interpretation of quantum mechanics that avoids the problems of other interpretations, such as the widely known, metaphysically generated, quantum paradoxes of quantum physics, which ironically are typically accepted as facts about reality. I will also show why it is very surprising that mereological nihilism is not a widely held theory, and not the premier theory in philosophy. (shrink)

Intra-molecular connectivity (that is, chemical structure) does not emerge from computations based on fundamental quantum-mechanical principles. In order to compute molecular electronic energies (of C 3 H 4 hydrocarbons, for instance) quantum chemists must insert intra-molecular connectivity “by hand.” Some take this as an indication that chemistry cannot be reduced to physics: others consider it as evidence that quantum chemistry needs new logical foundations. Such discussions are generally synchronic rather than diachronic —that is, they neglect ‘historical’ (...) aspects. However, systems of interest to chemists generally are metastable . In many cases chemical systems of a given elemental composition may exist in any one of several different metastable states depending on the history of the system. Molecular structure generally depends on contingent historical circumstances of synthesis and separation, rather than solely or mainly on relative energies of alternative stable states, those energies in turn determined by relationships among components. Chemical structure is usually ‘kinetically-determined’ rather than ‘thermodynamically-determined.’ For instance, cyclical hydrocarbon ring-systems (as in cyclopropene) are produced only in special circumstances. Adequate theoretical treatments must take account of the persistent effects of such contingent historical events whenever they are relevant—as they generally are in chemistry. (shrink)

Most contemporary chemists consider quantum mechanics to be the foundational theory of their discipline, although few of the calculations that a strict reduction would seem to require have ever been produced. In this essay I discuss contemporary algebraic and diagrammatic representations of molecular systems derived from quantum mechanical models, specifically configuration interaction wavefunctions for ab initio calculations and molecular orbital energy diagrams. My aim is to suggest that recent dissatisfaction with reductive accounts of chemical theory may (...) stem from both the inability of standard accounts of reduction to incorporate the diverse forms of representation found in chemical practice and our philosophical predilection to analyze all connections between theories in terms of logical reduction. (shrink)

We review some notions for general quantum entropies. The entropy of the compound systems is discussed and a numerical computation of the quantum dynamical systems is carried for the noisy optical channel.

SummaryUnder the assumption of the materialistic‐mechanistic ontology implicit in classical physics, quantum theory as interpreted through Niels Bohr's epistemology of complementarity is not formally objective; i. e., it is not informative of the state of physical systems independent of particular phenomenal manifestations of them. However, an analysis of the notion of the “physical system”, in theory, as experienced, and as existing “in‐itself”, reveals that if the older ontology is replaced, quantum mechanics through complementarity becomes formally objective, points (...) the way toward a new ontology based on the notion of the power to structure interaction between systems, and provides new insights into the relations between theory, observation, and the natural world. (shrink)

Most contemporary chemists consider quantum mechanics to be the foundational theory of their discipline, although few of the calculations that a strict reduction would seem to require have ever been produced. In this essay I discuss contemporary algebraic and diagrammatic representations of molecular systems derived from quantum mechanical models, specifically configuration interaction wavefunctions for ab initio calculations and molecular orbital energy diagrams. My aim is to suggest that recent dissatisfaction with reductive accounts of chemical theory may (...) stem from both the inability of standard accounts of reduction to incorporate the diverse forms of representation found in chemical practice and our philosophical predilection to analyze all connections between theories in terms of logical reduction. (shrink)

We review some techniques and notions for quantum information theory. It is shown that the dynamical entropies is discussed and some numerical computations of these entropies are carried for several states.

We present a novel approach to represent ecological systems using reaction networks, and show how a particular framework called chemical organization theory sheds new light on the longstanding complexity–stability debate. Namely, COT provides a novel conceptual landscape plenty of analytic tools to explore the interplay between structure and stability of ecological systems. Given a large set of species and their interactions, COT identifies, in a computationally feasible way, each and every sub-collection of species that is closed and (...) self-maintaining. These sub-collections, called organizations, correspond to the groups of species that can survive together in the long-term. Thus, the set of organizations contains all the stable regimes that can possibly happen in the dynamics of the ecological system. From here, we propose to conceive the notion of stability from the properties of the organizations, and thus apply the vast knowledge on the stability of reaction networks to the complexity–stability debate. As an example of the potential of COT to introduce new mathematical tools, we show that the set of organizations can be equipped with suitable joint and meet operators, and that for certain ecological systems the organizational structure is a non-boolean lattice, providing in this way an unexpected connection between logico-algebraic structures, popular in the foundations of quantum theory, and ecology. (shrink)

We present a novel approach to represent ecological systems using reaction networks, and show how a particular framework called chemical organization theory sheds new light on the longstanding complexity–stability debate. Namely, COT provides a novel conceptual landscape plenty of analytic tools to explore the interplay between structure and stability of ecological systems. Given a large set of species and their interactions, COT identifies, in a computationally feasible way, each and every sub-collection of species that is closed and (...) self-maintaining. These sub-collections, called organizations, correspond to the groups of species that can survive together in the long-term. Thus, the set of organizations contains all the stable regimes that can possibly happen in the dynamics of the ecological system. From here, we propose to conceive the notion of stability from the properties of the organizations, and thus apply the vast knowledge on the stability of reaction networks to the complexity–stability debate. As an example of the potential of COT to introduce new mathematical tools, we show that the set of organizations can be equipped with suitable joint and meet operators, and that for certain ecological systems the organizational structure is a non-boolean lattice, providing in this way an unexpected connection between logico-algebraic structures, popular in the foundations of quantum theory, and ecology. (shrink)

Classical systems of mereology identify a maximuml set of jointly exhaustive and pairwise disjoint (RCC5) relations. The amount of information that is carried by each member of this set of (crisp) relations is determined by the number of bits of information that are required to distinguish all the members of the set. It is postulated in this paper, that vague mereological relations are limited in the amount of information they can carry. That is, if a crisp mereological relation (...) can carry N bits of information, then a vague mereological relation can carry only 1 ⩽ n < N bits. The aim of this paper is it to explore these ideas in the context of various systems of vague mereological relations. The resulting formalism is non-classical in the sense of quantum information theory. (shrink)

The quantum theory of atoms in molecules (QTAIM) uses physics to define an atom and its contribution to observable properties in a given system. It does so using the electron density and its flow in a magnetic field, the current density. These are the two fields that Schrödinger said should be used to explain and understand the properties of matter. It is the purpose of this paper to show how QTAIM bridges the conceptual gulf that separates the observations of (...) chemistry from the realm of physics and do so in a manner that is both rigorous and conceptually simple. Since QTAIM employs real measurable fields, it enables one to present the findings of complex quantum mechanical calculations in a pictorial manner that isolates the essential physics. The time has arrived for a sea change in our attempts to predict and classify the observations of chemistry, time to replace the use of simplified and arbitrary models with the full predictive power of physics, as applied to an atom in a molecule. (shrink)

We discuss the problem of treating strongly correlated electrons by quantum chemical methods. It is shown how an incremental computational scheme for the ground-state energy can be related to a generalization of Faddeev's equations. We also discuss the application of the local increment method to lithium metal by the study of a Li8 cluster.

How best to think about quantum systems under permutation invariance is a question that has received a great deal of attention in the literature. But very little attention has been paid to taking seriously the proposal that permutation invariance reflects a representational redundancy in the formalism. Under such a proposal, it is far from obvious how a constituent quantum system is represented. Consequently, it is also far from obvious how quantum systems compose to form assemblies, (...) i.e. what is the formal structure of their relations of parthood, overlap and fusion. In this paper, I explore one proposal for the case of fermions and their assemblies. According to this proposal, fermionic assemblies which are not entangled—in some heterodox, but natural sense of ‘entangled’—provide a prima facie counterexample to classical mereology. This result is puzzling; but, I argue, no more intolerable than any other available interpretative option. (shrink)

In his book, History as a Science and the System of the Sciences, Thomas Seebohm articulates the view that history can serve to mediate between the sciences of explanation and the sciences of interpretation, that is, between the natural sciences and the human sciences. Among other things, Seebohm analyzes history from a phenomenological perspective to reveal the material foundations of the historical human sciences in the lifeworld. As a preliminary to his analyses, Seebohm examines the formal and material presuppositions of (...) phenomenological epistemology, as well as the emergence of the human sciences and the traditional distinctions and divisions that are made between the natural and the human sciences. -/- As part of this examination, Seebohm devotes a section to discussing Husserl’s formal mereology because he understands that a reflective analysis of the foundations of the historical sciences requires a reflective analysis of the objects of the historical sciences, that is, of concrete organic wholes (i.e., social groups) and of their parts. Seebohm concludes that Husserl’s mereological ontology needs to be altered with regard to the historical sciences because the relations between organic wholes and their parts are not summative relations. Seebohm’s conclusion is relevant for the issue of the reducibility of organic wholes such as social groups to their parts and for the issue of the reducibility of the historical sciences to the lower-order sciences, that is, to the sciences concerned with lower-order ontologies. -/- In this paper, I propose to extend Seebohm’s conclusion to the ontology of chemical wholes as object of quantum chemistry and to argue that Husserl’s formal mereology is descriptively inadequate for this regional ontology as well. This may seem surprising at first, since the objects studied by quantum chemists are not organic wholes. However, my discussion of atoms and molecules as they are understood in quantum chemistry will show that Husserl’s classical summative and extensional mereology does not accurately capture the relations between chemical wholes and their parts. This conclusion is relevant for the question of the reducibility of chemical wholes to their parts and of the reducibility of chemistry to physics, issues that have been of central importance within the philosophy of chemistry for the past several decades. (shrink)

A chemical substance is instantiated in the material world by a number of quantities of such substance, placed in different locations. A change of location implies a change in the net of relationships entertained by the QCS with the region wherein it is found. This fact entails changes of the ontological status of the CS, as this is not fully determined by the inherent features of the CS and includes a relevant relational contribution. In order to demonstrate this thesis, (...) we have chosen to analyse the status of quantities of a same CS that are synchronically located in different spacetime regions: a synthetic lab, a lab where the QCS is turned into a material, an industrial plant, the market where the QCS gets a price and a dump waste where the QCS is discarded, respectively: Chemical substance Open image in new window material Open image in new window product Open image in new window goods Open image in new window wasteThe use of first-order predicate logic, mereology and locative logic allows carrying out a regimentation process that highlights the ontological commitments implied by the formal expressions through which each element of the aforementioned series can be described. The presence of relational properties discloses the systemic nature of the CS instantiated within a spacetime region. The implications of such an aspect are discussed. (shrink)

It is standardly assumed in discussions of quantum theory that physical systems can be regarded as having well-defined Hilbert spaces. It is shown here that a Hilbert space can be consistently partitioned only if its components are assumed not to interact. The assumption that physical systems have well-defined Hilbert spaces is, therefore, physically unwarranted.

We present a formal theory of contextuality for a set of random variables grouped into different subsets corresponding to different, mutually incompatible conditions. Within each context the random variables are jointly distributed, but across different contexts they are stochastically unrelated. The theory of contextuality is based on the analysis of the extent to which some of these random variables can be viewed as preserving their identity across different contexts when one considers all possible joint distributions imposed on the entire set (...) of the random variables. We illustrate the theory on three systems of traditional interest in quantum physics. These are systems of the Klyachko–Can–Binicioglu–Shumovsky-type, Einstein–Podolsky–Rosen–Bell-type, and Suppes–Zanotti–Leggett–Garg-type. Listed in this order, each of them is formally a special case of the previous one. For each of them we derive necessary and sufficient conditions for contextuality while allowing for experimental errors and contextual biases or signaling. Based on the same principles that underly these derivations we also propose a measure for the degree of contextuality and compute it for the three systems in question. (shrink)

This paper combines naturalized metaphysics and a philosophical reflection on a recently evolving interdisciplinary branch of quantum chemistry, ab initio molecular dynamics. Bridging the gaps among chemistry, physics, and computer science, this cutting-edge research field explores the structure and dynamics of complex molecular many-body systems through computer simulations. These simulations are allegedly crafted solely by the laws of fundamental physics, and are explicitly designed to capture nature as closely as possible. The models and algorithms employed, however, involve many (...) approximations and significant degrees of idealization of their target systems. Therefore, for philosophers of science the pivotal question of whether relying only on the fundamental laws of physics supports a reductionist or realist stance arises. One conceivable answer to this question is that the irreducible approximations and idealizations support rather anti-realist positions. After reviewing an influential attitude in the philosophy of computer simulations and the debate concerning scientific realism, I offer a fair interpretation of such ab initio modelling in quantum chemistry within a naturalistic metaphysical framework that gives rise to a specific type of ontic structural realism. (shrink)

A 4-dimensional periodic table of chemical elements is presented. The 120 elements in the n = 8 system are located on vertices of a 4D-cubic lattice and specified by Cartesian coordinates based on the four quantum numbers. Each quantum number is represented by a vector along a different spatial direction in 4D Euclidean space. The 4D PT has a fixed topology governed by Euler–Poincare-type equation and the chemical elements have a fixed connectivity with neighboring elements within (...) the 4D PT. Various geometric transformations by rotations and elongations of vectors enable morphing of one PT to another in a continuum while preserving the 4D topology. The 4D structure exhibits principles of complementarity and zero-cyclic sum in chemical elements. Complementarity enables the extension to n = 9 elements and beyond. The 4D PT of elements extends to isotopes and also to molecules and compounds with the same underlying principles. (shrink)

The present paper discusses the problem of quantum-mechanical properties of a subject’s consciousness. The model of generalized economic measurements is used for the analysis. Two types of such measurements are analyzed – transactions and technologies. Algebraic ratios between the technology-type measurements allow making their analogy with slit experiments in physics. It has been shown that the description of results of such measurements is possible both in classical and in quantum formalism of calculation of probabilities. Thus, the quantum-mechanical (...) formalism of the description of states appears as a result of idealization of the selection mechanism in the proprietor's consciousness. (shrink)

It is usually stated that quantum mechanics presents problems with the identity of particles, the most radical position—supported by E. Schrödinger—asserting that elementary particles are not individuals. But the subject goes deeper, and it is even possible to obtain states with an undefined particle number. In this work we present a set theoretical framework for the description of undefined particle number states in quantum mechanics which provides a precise logical meaning for this notion. This construction goes in the (...) line of solving a problem posed by Y. Manin, namely, to incorporate quantum mechanical notions at the foundations of mathematics. We also show that our system is capable of representing quantum superpositions. (shrink)