There is a persisting debate about what chemical bonds are and whether they exist. I argue that chemical bonds are real patterns of interactions between subatomic particles. This proposal resolves the problems raised in the context of existing understandings of the chemical bond and provides a novel way to defend the reality of chemical bonds.

The role of contingent contexts in formulating relations between properties of systems at different descriptive levels is addressed. Based on the distinction between necessary and sufficient conditions for interlevel relations, a comprehensive classification of such relations is proposed, providing a transparent conceptual framework for discussing particular versions of reduction, emergence, and supervenience. One of these versions, contextual emergence, is demonstrated using two physical examples: molecular structure and chirality, and thermal equilibrium and temperature. The concept of stability is emphasized as a (...) basic guiding principle of contextual property emergence. (shrink)

What are the criteria determining the individuation of chemical kinds? Recent philosophical discussion, which puts too much emphasis on microstructure, seems to presuppose a reductionist conception not motivated by the scientific facts. The present article traces the development of the traditional notion of a substance with the rise of modern chemistry from the end of the 18th century with a view to correcting this speculative distortion.

Perhaps the hottest topic in the philosophy of chemistry is that of the relationship between chemistry and physics. The problem finds one of its main manifestations in the debate about the nature of molecular structure, given by the spatial arrangement of the nuclei in a molecule. The traditional strategy to address the problem is to consider chemical cases that challenge the definition of molecular structure in quantum–mechanical terms. Instead of taking that top-down strategy, in this paper we face the problem (...) of the reduction of molecular structure to quantum mechanics from a bottom-up perspective: our aim is to show how the theoretical peculiarities of quantum mechanics stand against the possibility of molecular structure, defined in terms of the spatial relations of the nuclei conceived as individual localized objects. We will argue that, according to the theory, quantum “particles” are not individuals that can be identified as different from others and that can be reidentified through time; therefore, they do not have the ontological stability necessary to maintain the relations that can lead to a spatially definite system with an identifiable shape. On the other hand, although quantum chemists use the resources supplied by quantum mechanics with successful results, this does no mean reduction: their “approximations” add certain assumptions that are not justified in the context of quantum mechanics or are even inconsistent with the very formal structure of the theory. (shrink)

In this paper I investigate two views of theoretical explanation in quantum chemistry, advocated by John Clarke Slater and Charles Coulson. Slater argued for quantum‐mechanical rigor, and the primacy of fundamental principles in models of chemical bonding. Coulson emphasized systematic explanatory power within chemistry, and continuity with existing chemical explanations. I relate these views to the epistemic contexts of their disciplines.

The "usual story" regarding molecular chemistry is that it is roughly an application of quantum mechanics. That is to say, quantum mechanics supplies everything necessary and sufficient, both ontologically and epistemologically, to reduce molecular chemistry to quantum mechanics. This is a reductive story, to be sure, but a key explanatory element of molecular chemistry, namely molecular structure, is absent from the quantum realm. On the other hand, typical characterizations of emergence, such as the unpredictability or inexplicability of molecular structure based (...) on quantum mechanics, do not characterize the relationship between molecular chemistry and quantum mechanics well either. A different scheme for characterizing reduction and emergence is proposed that accommodates the relationship between quantum mechanics and molecular chemistry and some initial objections to the scheme are considered. (shrink)

In a recent article entitled “The problem of molecular structure just is the measurement problem”, Alexander Franklin and Vanessa Seifert argue that insofar as the quantum measurement problem is solved, the problems of molecular structure are resolved as well. The purpose of the present article is to show that such a claim is too optimistic. Although the solution of the quantum measurement problem is relevant to how the problem of molecular structure is faced, such a solution is not sufficient to (...) account for the structure of molecules as understood in the field of chemistry. (shrink)

In this article we critically evaluate Robin Le Poidevin's recent attempt to set out an argument for the ontological reduction of chemistry independently of intertheoretic reduction. We argue, firstly, that the argument he envisages applies only to a small part of chemistry, and that there is no obvious way to extend it. We argue, secondly, that the argument cannot establish the reduction of chemistry, properly so called.

The modal-Hamiltonian interpretation belongs to the modal family of interpretations of quantum mechanics. By endowing the Hamiltonian with the role of selecting the subset of the definite-valued observables of the system, it accounts for ideal and non-ideal measurements, and also supplies a criterion to distinguish between reliable and non-reliable measurements in the non-ideal case. It can be reformulated in an explicitly invariant form, in terms of the Casimir operators of the Galilean group, and the compatibility of the MHI with the (...) theory of decoherence has been proved. Nevertheless, perhaps its main advantage in the eyes of a scientist is given by its several applications to well-known physical situations, leading to results compatible with experimental evidence. The purpose of this paper is to add a new application to the list: the case of optical isomerism, which is a central issue for the philosophy of physics and of chemistry since it points to the core of the problem of the relationship between physics and chemistry. Here it will be shown that the MHI supplies a direct and physically natural solution to the problem, a solution that does not require putting classical assumptions in “by hand.”. (shrink)

In a recent critique of the doctrine of emergentism championed by its classic advocates up to C. D. Broad, Jaegwon Kim (Philosophical Studies 63:31–47, 1999) challenges their view about its applicability to the sciences and proposes a new account of how the opposing notion of reduction should be understood. Kim is critical of the classic conception advanced by Nagel and uses his new account in his criticism of emergentism. I question his claims about the successful reduction achieved in the sciences (...) and argue that his new account has not improved on Nagel’s and that the critique of emergentism he bases on it is question-begging in important respects. (shrink)

Chemistry is the study of the structure and transformation of matter. When Aristotle founded the field in the 4th century BCE, his conceptual grasp of the nature of matter was tailored to accommodate a relatively simple range of observable phenomena. In the 21st century, chemistry has become the largest scientific discipline, producing over half a million publications a year ranging from direct empirical investigations to substantial theoretical work. However, the specialized interest in the conceptual issues arising in chemistry, hereafter Philosophy (...) of Chemistry, is a relatively recent addition to philosophy of science. Philosophy of chemistry has two major parts. In the first, conceptual issues arising within chemistry are carefully articulated and analyzed. Such questions which are internal to chemistry include the nature of substance, atomism, the chemical bond, and synthesis. In the second, traditional topics in philosophy of science such as realism, reduction, explanation, confirmation, and modeling are taken up within the context of chemistry. (shrink)

This paper first queries what type of concept of emergence, if any, could be connected with the different chemical activities subsumed under the label ‘quantum chemistry’. In line with Roald Hoffmann, we propose a ‘rotation to research laboratory’ in order to point out how practitioners hold a molecular whole, its parts, and the surroundings together within their various methods when exploring chemical transformation. We then identify some requisite contents that a concept of emergence must incorporate in order to be coherent (...) from the standpoint of the scientific practices involved. In this respect, we finally propose a relational form of emergence which pays attention to the constitutive role of the modes of intervention and to the co-definition of the levels of organization. No metaphysical distinction between the higher and basic levels of organization is supposed, but only a plurality of modes of access. Moreover, these modes of access are not construed as mere ways of revealing intrinsic patterns of organization but, on the contrary, are considered to be active elements on which the constitution of those patterns depends. What is at stake in this paper is therefore not an ontological form of emergence but an agnostic one which fits what chemists do in their daily work. (shrink)

Structural Realism (SR) is typically rated as a moderate realist doctrine about the ultimate entities of nature described by fundamental physics. Whether it must be extended to the higher-level special sciences is not so clear. In this short paper I argue that there is no need to ‘structuralize’ the special sciences. By mounting concrete examples I show that structural descriptions and structural laws certainly play a role in the special sciences, but that they don’t play any exclusive role nor that (...) they give us any reason to believe that all that there is on the various levels is structure. I fortify my points by arguing that structures are global entities (in order for SR not to collapse into a bundle ontology) and that the assumption of higher-level structures as genuinely global or holistic entities is even more arcane. (shrink)

I argue that molecules may not have structure in isolation. I support this by investigating how quantum models identify structure for isolated molecules. Specifically, I distinguish between two sets of models: those that identify structure in isolation and those that do not. The former identify structure because they presuppose structural information about the target system via the Born- Oppenheimer approximation. However, it is an idealisation to assume structure in isolation because there is no empirical evidence of this. In fact, whenever (...) structure is empirically examined it is always partially determined by factors that are absent in isolation. Together with the growing empirical evidence that isolated molecules behave in non-classical ways, this shows that the quantum models that do not identify structure are more faithful representations of isolated molecules. (shrink)

We conduct a case study analysis of a proposal for the emergence of time based upon the approximate derivation of three grades of temporal structure within an explicit quantum cosmological model which obeys a Wheeler-DeWitt type equation without an extrinsic time parameter. Our main focus will be issues regarding the consistency of the approximations and derivations in question. Our conclusion is that the model provides a self-consistent account of the emergence of chronordinal, chronometric and chronodirected structure. Residual concerns relate to (...) explanatory rather than consistency considerations. (shrink)

Recently in the philosophy of psychology it has been suggested that several putative phenomena such as emotions, memory, or concepts are not genuine natural kinds and should therefore be eliminated from the vocabulary of scientific psychology. In this paper I examine the perhaps most well known case of scientific eliminativism, Edouard Machery’s concept eliminativism. I argue that the split-lump-eliminate scheme of con- ceptual change underlying Machery’s eliminativist proposal assumes a simplistic view of the functioning of scientific concepts. Conceiving of scientific (...) concepts as natural kind terms is an important reason for the impasse between Machery and anti-eliminativists, as both sides allude to properties of natural kinds in their contradicting arguments. As a solution I propose that, in order to develop a more satisfactory theory of conceptual change in science, one needs to distinguish between three different types of scientific concepts, hitherto conflated under the loaded notion of natural kind. (shrink)

Constitutivemechanisticexplanationsexplainapropertyofawholewith the properties of its parts and their organization. Carl Craver’s mutual manipulability criterion for constitutive relevance only captures the explanatory relevance of causal properties of parts and leaves the organization side of mechanistic explanation unaccounted for. We use the contrastive counterfactual theory of explanation and an account of the dimensions of organization to build a typology of organizational dependence. We analyse organizational explanations in terms of such dependencies and emphasize the importance of modular organizational motifs. We apply this framework (...) to two cases from social science and systems biology, both fields in which organization plays a crucial explanatory role: agent-based simulations of residential segregation and the recent work on network motifs in transcription regulation networks. (shrink)

Scientific models are important, if not the sole, units of science. This thesis addresses the following question: in virtue of what do scientific models represent their target systems? In Part i I motivate the question, and lay out some important desiderata that any successful answer must meet. This provides a novel conceptual framework in which to think about the question of scientific representation. I then argue against Callender and Cohen’s attempt to diffuse the question. In Part ii I investigate the (...) ideas that scientific models are ‘similar’, or structurally morphic, to their target systems. I argue that these approaches are misguided, and that at best these relationships concern the accuracy of a pre-existing representational relationship. I also pay particular attention to the sense in which target systems can be appropriately taken to exhibit a ‘structure’, and van Fraassen’s recent argument concerning the pragmatic equivalence between representing phenomena and data. My next target is the idea that models should not be seen as objects in their own right, but rather what look like descriptions of them are actually direct descriptions of target systems, albeit not ones that should be understood literally. I argue that these approaches fail to do justice to the practice of scientific modelling. Finally I turn to the idea that how models represent is grounded, in some sense, in their inferential capacity. I compare this approach to anti-representationalism in the philosophy of language and argue that analogous issues arise in the context of scientific representation. Part iii contains my positive proposal. I provide an account of scientific representation based on Goodman and Elgin’s notion of representation-as. The result is a highly conventional account which is the appropriate level of generality to capture all of its instances, whilst remaining informative about the notion. I illustrate it with reference to the Phillips-Newlyn machine, models of proteins, and the Lotka-Volterra model of predator-prey systems. These examples demonstrate how the account must be understood, and how it sheds light on our understanding of how models are used. I finally demonstrate how the account meets the desiderata laid out at the beginning of the thesis, and outline its implications for further questions from the philosophy of science; not limited to issues surrounding the applicability of mathematics, idealisation, and what it takes for a model to be ‘true’. (shrink)

Focusing on computational studies of pericyclic reactions from the late twentieth century into the twenty-first century, this paper argues that computational diagnostics is a key methodological development that characterize the management and coordination of plural approximation methods in computational organic chemistry. Predictive divergence between semi-empirical and ab initio approximation methods in the study of pericyclic reactions has issued in epistemic dissent. This has resulted in the use of diagnostics to unpack computational greyboxes in order to critically assess the effect of (...) specific misrepresentations on predictive accuracy given that approximations and idealizations must be made to render computational models tractable. Furthermore, benchmarking is used to determine the applicability of approximation methods depending on how accurate the results need to be in a given research context. The epistemology of benchmarking consists of the co-generation of data sets in a hybrid computational–experimental form used to standardize computational methods but does not determine a unique quantitative method to be used across computational organic chemistry. (shrink)

I discuss two popular but apparently contradictory theses: -/- T1. The democratic control of science – the aims and activities of science should be subject to public scrutiny via democratic processes of representation and participation. T2. The scientific control of policy, i.e. technocracy – political processes should be problem-solving pursuits determined by the methods and results of science and technology. Many arguments can be given for (T1), both epistemic and moral/political; I will focus on an argument based on the role (...) of non-epistemic values in policy-relevant science. I will argue that we must accept (T2) as a result of an appraisal of the nature of contemporary political problems. Technocratic systems, however, are subject to serious moral and political objections; these difficulties are sufficiently mitigated by (T1). I will set out a framework in which (T1) and (T2) can be consistently and compellingly combined. (shrink)

This chapter contains sections titled: Highlights of Past Literature Current Work Future Work.

A los cristales se los describe como a una red de átomos que puede vibrar alrededor de su posición de equilibrio. Sin embargo, el hecho de que la energía de estas ondas esté cuantificada sugiere una analogía con el campo electromagnético. En analogía con el fotón se define al fonón. Generalmente se concibe al fonón como a una cuasi-partícula, es decir, como a un instrumento matemático útil en los cálculos pero sin una existencia propia. En este trabajo estudiamos el estatuto (...) ontológico del fonón y argumentaremos en favor de la idea de considerarlo como una partícula real. (shrink)

Recent discussions about the microstructure of materials generally focus on the ontological aspects of the molecular structure. However, there are many types of substances that cannot be studied by means of the concept of molecule, for example, salts. For the quantum treatment of these substances, a new particle, called phonon, is introduced. Phonons are generally conceived as a pseudo-particle, that is, a mathematical device necessary to perform calculations but which does not have a "real" existence. In this context, the aim (...) of this paper will be to analyze the ontological status of phonons. For such purposes we will critically analyze the arguments that would account for the presumed nonexistence of phonons. Finally, having already demonstrated that there are not enough reasons to consider phonons as non-existing entities, we will explore some possibilities that allow us to elucidate their ontological status. (shrink)

Although during the last decades the philosophy of chemistry has greatly extended its thematic scope, the main difficulties appear in the attempt to link the chemical description of atoms and molecules and the description supplied by quantum mechanics. The aim of this paper is to analyze how the difficulties that threaten the continuous conceptual link between molecular chemistry and quantum mechanics can be overcome or, at least, moderated from the perspective of BM. With this purpose, in “The quantum-mechanical challenges” section (...) the foundational incompatibility between chemical and SQM descriptions will be briefly recalled. “Bohmian mechanics” section will be devoted to explain the main features of BM. In “Empirical equivalence and underdetermination” section, the consequences of the empirical equivalence between SQM and BM will be discussed. Finally, in the Conclusion, we will stress the scope of the obtained conclusions and the philosophical difficulties that still remain even after adopting BM for foundational purposes. (shrink)

I argue that if one applies the standard intuitionistic criterion for truth to Kp in (p) (p&Kp), one avoids Fitch’s paradox, but with disastrous consequences having to do with the expressive resources of one’s semantics. On the other hand, if one conceives of Kp as a function recording what happens in the actual world, one gets a double benefit. First, the semantics become tolerably expressive. Second, and because of the same move, the paradox can be blocked. (The solution I provide (...) bares resemblances with the ones proposed by Edgington 1985, 2009 and Kvanvig 1995, 2006, and especially with this latter as it has been reformulated by Brogaard and Salerno 2007). Finally, I shown that in some models for temporal intuitionistic logic (Kapantaïs 2009), and which are extensions of Beth models, (i) the knowability principle can be assumed to be valid, (ii) the paradox is blocked in the above mentioned way, and also (iii) a sentence saying that we will come to know something we now ignore becomes true and known in some worlds. (shrink)

The status of the chemical bond has long been a controversial issue with the increasing distance between quantum chemists’ theoretical understanding of molecular stability and the ideas of experimental chemists. Some aspects of the development of the concept of a hydrogen bond are discussed with a view to assessing its import on the general question.