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General Science

Working Paper

Equipartition and Geometry of Generative Representations

Serge Dolgikh

Version 1 posted 08 August 2022

44

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Chemistry

Working Paper

The Shape of Water – how cluster formation provides a unifying explanation of water’s anomalous properties

Martin Andersson

Version 2 posted 07 October 2022

597

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Chemistry

Working Paper

Error quantification of phase transition quantities from cluster weighting calculations

Jan Blasius, Paul Zaby, Jürgen Dölz, Barbara Kirchner

Version 1 posted 08 April 2022

272

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Chemistry

Working Paper

Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

Jonathan Carney, David Roundy, Cory M. Simon

Version 2 posted 28 September 2020

990

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Chemistry

Working Paper

Defining the Temperature of an Isolated Molecule

Mario BARBATTI

Version 2 posted 03 March 2022

888

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Chemistry

Working Paper

Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)

Felix Riccius, Nicolas Bergmann, Hendrik H. Heenen, Karsten Reuter

Version 1 posted 13 August 2025

11

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Computer Science

Working Paper

“Efficient Complexity”: Evolutionary Perspectives on Natural Intelligence

Serge Dolgikh

Version 1 posted 02 September 2024

68

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Chemistry

Working Paper

Accounting for the Vibrational Contribution to the Configurational Entropy in Disordered Solids with Machine Learned Forcefields: A Case Study of Garnet Electrolyte Li7La3Zr2O12

Jack Yang, Ziqi Yin, Sean Li

Version 1 posted 23 December 2024

324

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Chemistry

Working Paper

Thermodynamics of molecular binding and clustering in the atmosphere revealed through conventional and ML-enhanced umbrella sampling

Jakub Kubečka, Yosef Knattrup, Georg Baadsgaard Trolle, Bernhard Reischl, August Smart Lykke-Møller, Jonas Elm, Ivo Neefjes

Version 1 posted 13 June 2025

254

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9 results in Statistical thermodynamics in Keywords: Statistical thermodynamics

Equipartition and Geometry of Generative Representations

The Shape of Water – how cluster formation provides a unifying explanation of water’s anomalous properties

Error quantification of phase transition quantities from cluster weighting calculations

Statistical Mechanical Model of Gas Adsorption in a Metal-Organic Framework Harboring a Rotaxane Molecular Shuttle

Defining the Temperature of an Isolated Molecule

Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)

“Efficient Complexity”: Evolutionary Perspectives on Natural Intelligence

Accounting for the Vibrational Contribution to the Configurational Entropy in Disordered Solids with Machine Learned Forcefields: A Case Study of Garnet Electrolyte Li7La3Zr2O12

Thermodynamics of molecular binding and clustering in the atmosphere revealed through conventional and ML-enhanced umbrella sampling

9 results in Keywords: Statistical thermodynamics