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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

168

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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

932

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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

440

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General Science

Working Paper

Equipartition and Geometry of Generative Representations

Serge Dolgikh

Version 1 posted 08 August 2022

33

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Chemistry

Working Paper

Defining the Temperature of an Isolated Molecule

Mario BARBATTI

Version 2 posted 03 March 2022

774

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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

192

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Computer Science

Working Paper

“Efficient Complexity”: Evolutionary Perspectives on Natural Intelligence

Serge Dolgikh

Version 1 posted 02 September 2024

42

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7 results in Statistical thermodynamics in Keywords: Statistical thermodynamics

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

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

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

Equipartition and Geometry of Generative Representations

Defining the Temperature of an Isolated Molecule

Error quantification of phase transition quantities from cluster weighting calculations

“Efficient Complexity”: Evolutionary Perspectives on Natural Intelligence

7 results in Keywords: Statistical thermodynamics