Search results for "Entropy production"

showing 4 items of 24 documents

Periodic Classification of Local Anaesthetics (Procaine Analogues)

2006

Algorithms for classification are proposed based on criteria (information entropyand its production). The feasibility of replacing a given anaesthetic by similar ones in thecomposition of a complex drug is studied. Some local anaesthetics currently in use areclassified using characteristic chemical properties of different portions of their molecules.Many classification algorithms are based on information entropy. When applying theseprocedures to sets of moderate size, an excessive number of results appear compatible withdata, and this number suffers a combinatorial explosion. However, after the equipartitionconjecture, one has a selection criterion between different variants resulting fromc…

Rank (linear algebra)Periodic table (large cells)principal component analysisperiodic tableCatalysisInorganic ChemistryCombinatoricslcsh:ChemistryOrder (group theory)procaine analogue.Physical and Theoretical Chemistrylocal anaestheticMolecular Biologylcsh:QH301-705.5SpectroscopyEquipartition theoremMathematicsConjectureEntropy productionOrganic Chemistryinformation entropyGeneral MedicineComposition (combinatorics)periodic lawComputer Science Applicationsperiodic propertyStatistical classificationclassificationlcsh:Biology (General)lcsh:QD1-999equipartition conjecturecluster analysisInternational Journal of Molecular Sciences
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Thermodynamic formalism and linear response theory for non-equilibrium steady states

2016

We study the linear response in systems driven away from thermal equilibrium into a nonequilibrium steady state with nonvanishing entropy production rate. A simple derivation of a general response formula is presented under the condition that the generating function describes a transformation that (to lowest order) preserves normalization and thus describes a physical stochastic process. For Markov processes we explicitly construct the conjugate quantities and discuss their relation with known response formulas. Emphasis is put on the formal analogy with thermodynamic potentials and some consequences are discussed.

Thermal equilibriumNormalization (statistics)Statistical Mechanics (cond-mat.stat-mech)Stochastic processEntropy productionMarkov processNon-equilibrium thermodynamicsFOS: Physical sciences01 natural sciences010305 fluids & plasmasThermodynamic potentialsymbols.namesake0103 physical sciencessymbolsStatistical physics010306 general physicsLinear response theoryCondensed Matter - Statistical MechanicsMathematics
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Classification of Complex Molecules

2009

Algorithms for classification and taxonomy based on criteria, e.g., information entropy and its production are proposed. In molecular classification, the feasibility of replacing a given molecule (e.g, anaesthetic) by similar ones in the composition of a complex drug is studied. Some local anaesthetics currently in use are classified using characteristic chemical properties of different portions of their molecules. In taxonomy, the detailed comparison of the sequences (primary structures) of biomolecules, proteins or nucleic acids, allows the reconstruction of a molecular phylogenetic tree for some species, e.g. the 1918 influenza virus. The method is applied to the classifications of: (1) …

chemistry.chemical_classificationStatistical classificationPhylogenetic treechemistryPhylogenesisEntropy productionBiomoleculeNucleic acidEntropy (information theory)MoleculeComputational biologyBioinformaticsMathematics
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Quantum fluctuations and correlations in equilibrium and nonequilibrium thermodynamics

2014

heat capacitythermodynamicquantum fluctuationgaussian approximationopen systemsfluctuation theorementanglementnon-Markovianityentropy productionquantum correlationSettore FIS/03 - Fisica Della Materia
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