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Journal Articles

Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

Nikita P. Kryuchkov, Artur D. Nasyrov, Ilya R. Denisenko, Stanislav O. Yurchenko

J. Chem. Phys. 161, 094505 (2024)

https://doi.org/10.1063/5.0213689

Published: September 2024

View article titled, Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

Journal Articles

Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles

Harold W. Hatch, Vincent K. Shen, David S. Corti

J. Chem. Phys. 161, 084106 (2024)

https://doi.org/10.1063/5.0224305

Published: August 2024

View article titled, Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles

Journal Articles

Thermodynamic properties of quasi-one-dimensional fluids

Thomas Franosch, Rolf Schilling

J. Chem. Phys. 160, 224504 (2024)

https://doi.org/10.1063/5.0207758

Published: June 2024

View article titled, Thermodynamic properties of quasi-one-dimensional fluids

Journal Articles

Topology of thermodynamic potentials using physical models: Helmholtz, Gibbs, Grand, and Null

Isabel Nitzke, Simon Stephan, Jadran Vrabec

J. Chem. Phys. 160, 214104 (2024)

https://doi.org/10.1063/5.0207592

Published: June 2024

View article titled, Topology of thermodynamic potentials using physical models: Helmholtz, Gibbs, Grand, and Null

Journal Articles

Fundamental equation of state for mixtures of nitrogen, oxygen, and argon based on molecular simulation data

Monika Thol, Sven Michael Pohl, Denis Saric, Roland Span, Jadran Vrabec

J. Chem. Phys. 160, 174102 (2024)

https://doi.org/10.1063/5.0188232

Published: May 2024

View article titled, Fundamental equation of state for mixtures of nitrogen, oxygen, and argon based on molecular simulation data

Includes: Supplementary data

Journal Articles

Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. I. Electrons in helium

Malte Hildebrandt, Robert E. Robson

J. Chem. Phys. 159, 194115 (2023)

https://doi.org/10.1063/5.0172593

Published: November 2023

View article titled, Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. I. Electrons in helium

Journal Articles

Steady-state thermodynamics of a system with heat and mass flow coupling

Karol Makuch, Robert Hołyst, Konrad Giżyński, Anna Maciołek, Paweł J. Żuk

J. Chem. Phys. 159, 194113 (2023)

https://doi.org/10.1063/5.0170079

Published: November 2023

View article titled, Steady-state thermodynamics of a system with heat and mass flow coupling

Journal Articles

Development of an analytical exponential-6 equation of state through Monte Carlo simulations

Peter Hallstadius

J. Chem. Phys. 159, 164501 (2023)

https://doi.org/10.1063/5.0171319

Published: October 2023

View article titled, Development of an analytical exponential-6 equation of state through Monte Carlo simulations

Includes: Supplementary data

Journal Articles

Base pair compositional variability influences DNA structural stability and tunes hydration thermodynamics and dynamics

Brataraj Ghosh, Sarbajit Layek, Dhananjay Bhattacharyya, Neelanjana Sengupta

J. Chem. Phys. 159, 095101 (2023)

https://doi.org/10.1063/5.0154977

Published: September 2023

View article titled, Base pair compositional variability influences DNA structural stability and tunes hydration thermodynamics and dynamics

Includes: Supplementary data

Journal Articles

Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis

Tobias Binninger, Adrian Heinritz, Rhiyaad Mohamed

J. Chem. Phys. 158, 124129 (2023)

https://doi.org/10.1063/5.0118467

Published: March 2023

View article titled, Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis

Includes: Supplementary data

Journal Articles

Homogeneous water nucleation in argon, nitrogen, and nitrous oxide as carrier gases

Mykola Lukianov, Tetiana Lukianova, Jan Hrubý

J. Chem. Phys. 158, 124301 (2023)

https://doi.org/10.1063/5.0138794

Published: March 2023

View article titled, Homogeneous water nucleation in argon, nitrogen, and nitrous oxide as carrier gases

Includes: Supplementary data

Journal Articles

Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship

Jaehyeok Jin, Kenneth S. Schweizer, Gregory A. Voth

J. Chem. Phys. 158, 034103 (2023)

https://doi.org/10.1063/5.0116299

Published: January 2023

View article titled, Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship

Journal Articles

Reliable emulation of complex functionals by active learning with error control

Xinyi Fang, Mengyang Gu, Jianzhong Wu

J. Chem. Phys. 157, 214109 (2022)

https://doi.org/10.1063/5.0121805

Published: December 2022

View article titled, Reliable emulation of complex functionals by active learning with error control

Includes: Supplementary data

Journal Articles

Thermodynamics of stationary states of the ideal gas in a heat flow

Robert Hołyst, Karol Makuch, Anna Maciołek, Paweł J. Żuk

J. Chem. Phys. 157, 194108 (2022)

https://doi.org/10.1063/5.0128074

Published: November 2022

View article titled, Thermodynamics of stationary states of the ideal gas in a heat flow

Journal Articles

Uncertainty quantification of phase transition quantities from cluster weighting calculations

Jan Blasius, Paul Zaby, Jürgen Dölz, Barbara Kirchner

J. Chem. Phys. 157, 014505 (2022)

https://doi.org/10.1063/5.0093057

Published: July 2022

View article titled, Uncertainty quantification of phase transition quantities from cluster weighting calculations

Includes: Supplementary data

Journal Articles

Equation of state for confined fluids

Vilde Bråten, Daniel Tianhou Zhang, Morten Hammer, Ailo Aasen, Sondre Kvalvåg Schnell, Øivind Wilhelmsen

J. Chem. Phys. 156, 244504 (2022)

https://doi.org/10.1063/5.0096875

Published: June 2022

View article titled, Equation of state for confined fluids

Includes: Supplementary data

Journal Articles

On the nature of screening in Voorn–Overbeek type theories

Sunita Kumari, Shikha Dwivedi, Rudolf Podgornik

J. Chem. Phys. 156, 244901 (2022)

https://doi.org/10.1063/5.0091721

Published: June 2022

View article titled, On the nature of screening in Voorn–Overbeek type theories

Journal Articles

Atomistic simulation framework for molten salt vapor–liquid equilibrium prediction and its application to NaCl

Leann Tran, Jiří Škvára, William R. Smith

J. Chem. Phys. 156, 144501 (2022)

https://doi.org/10.1063/5.0089455

Published: April 2022

View article titled, Atomistic simulation framework for molten salt vapor–liquid equilibrium prediction and its application to NaCl

Includes: Supplementary data

Journal Articles

Memory in the relaxation of a polymer density modulation

Marcus Müller

J. Chem. Phys. 156, 124902 (2022)

https://doi.org/10.1063/5.0084602

Published: March 2022

View article titled, Memory in the relaxation of a polymer density modulation

Journal Articles

Entropy determination for mixtures in the adiabatic grand-isobaric ensemble

Caroline Desgranges, Jerome Delhommelle

J. Chem. Phys. 156, 084113 (2022)

https://doi.org/10.1063/5.0083458

Published: February 2022

View article titled, Entropy determination for mixtures in the adiabatic grand-isobaric ensemble

NARROW

Topics

Interpolating the radial distribution function in a two-dimensional fluid across a wide temperature range

Theory and Monte Carlo simulation of the ideal gas with shell particles in the canonical, isothermal–isobaric, grand canonical, and Gibbs ensembles

Thermodynamic properties of quasi-one-dimensional fluids

Topology of thermodynamic potentials using physical models: Helmholtz, Gibbs, Grand, and Null

Fundamental equation of state for mixtures of nitrogen, oxygen, and argon based on molecular simulation data

Semi-empirical analysis of leptons in gases in crossed electric and magnetic fields. I. Electrons in helium

Steady-state thermodynamics of a system with heat and mass flow coupling

Development of an analytical exponential-6 equation of state through Monte Carlo simulations

Base pair compositional variability influences DNA structural stability and tunes hydration thermodynamics and dynamics

Ideal gas reference for association/dissociation reactions: Concentration bias and kinetic reference voltage/potentials in electrolysis

Homogeneous water nucleation in argon, nitrogen, and nitrous oxide as carrier gases

Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship

Reliable emulation of complex functionals by active learning with error control

Thermodynamics of stationary states of the ideal gas in a heat flow

Uncertainty quantification of phase transition quantities from cluster weighting calculations

Equation of state for confined fluids

On the nature of screening in Voorn–Overbeek type theories

Atomistic simulation framework for molten salt vapor–liquid equilibrium prediction and its application to NaCl

Memory in the relaxation of a polymer density modulation

Entropy determination for mixtures in the adiabatic grand-isobaric ensemble

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