UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Computing chemical potentials of solutions from structure factors

The Journal of chemical physics, 2022-09, Vol.157 (12), p.121101-121101

Cheng, Bingqing

2022

Volltextzugriff (PDF)

Quantum-mechanical exploration of the phase diagram of water

Nature communications, 2021-01, Vol.12 (1), p.588-588, Article 588

2021

Volltextzugriff (PDF)

Evidence for supercritical behaviour of high-pressure liquid hydrogen

Nature (London), 2020-09, Vol.585 (7824), p.217-220

2020

Volltextzugriff (PDF)

Cartesian atomic cluster expansion for machine learning interatomic potentials

npj computational materials, 2024-07, Vol.10 (1), p.157-10, Article 157

Cheng, Bingqing

2024

Volltextzugriff (PDF)

Liquid water contains the building blocks of diverse ice phases

Nature communications, 2020-11, Vol.11 (1), p.5757-5757, Article 5757

2020

Volltextzugriff (PDF)

Ab initio thermodynamics of liquid and solid water

Proceedings of the National Academy of Sciences - PNAS, 2019-01, Vol.116 (4), p.1110-1115

2019

Volltextzugriff (PDF)

Computing chemical potentials of adsorbed or confined fluids

The Journal of chemical physics, 2023-04, Vol.158 (16)

2023

Volltextzugriff (PDF)

Thermodynamics of diamond formation from hydrocarbon mixtures in planets

Nature communications, 2023-02, Vol.14 (1), p.1104-1104, Article 1104

2023

Volltextzugriff (PDF)

Phase behaviours of superionic water at planetary conditions

Nature physics, 2021-11, Vol.17 (11), p.1228-1232

2021

Volltextzugriff (PDF)

Communication: Computing the Tolman length for solid-liquid interfaces

The Journal of chemical physics, 2018-06, Vol.148 (23), p.231102-231102

2018

Volltextzugriff (PDF)

Bridging the gap between atomistic and macroscopic models of homogeneous nucleation

The Journal of chemical physics, 2017-01, Vol.146 (3), p.034106-034106

2017

Volltextzugriff (PDF)

A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals

The Journal of chemical physics, 2023-11, Vol.159 (18)

2023

Volltextzugriff (PDF)

Direct path integral estimators for isotope fractionation ratios

The Journal of chemical physics, 2014-12, Vol.141 (24), p.244112-244112

2014

Volltextzugriff (PDF)

Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids

Physical review. B, 2018-02, Vol.97 (5), Article 054102

2018

Volltextzugriff (PDF)

Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (45), p.28732-28740

2018

Volltextzugriff (PDF)

High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential

The Journal of chemical physics, 2022-02, Vol.156 (7), p.074106-074106

2022

Volltextzugriff (PDF)

Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

The Journal of chemical physics, 2020-01, Vol.152 (4), p.044103-044103

2020

Volltextzugriff (PDF)

Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

Nature communications, 2023-10, Vol.14 (1), p.6131-6131, Article 6131

2023

Volltextzugriff (PDF)

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit

The Journal of chemical physics, 2017-09, Vol.147 (10), p.104707-104707

2017

Volltextzugriff (PDF)

Thermodynamics of high-pressure ice phases explored with atomistic simulations

Nature communications, 2022-08, Vol.13 (1), p.4707-4707, Article 4707

2022

Volltextzugriff (PDF)

Response Matching for Generating Materials and Molecules

Journal of chemical theory and computation, 2024-10, Vol.20 (20), p.9259-9266

Cheng, Bingqing

2024

Volltextzugriff (PDF)

The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study

Computational materials science, 2013-06, Vol.74, p.1-11

2013

Volltextzugriff (PDF)

Flood Inundation Probability Estimation by Integrating Physical and Social Sensing Data: Case Study of 2021 Heavy Rainfall in Henan, China

Remote sensing (Basel, Switzerland), 2024-08, Vol.16 (15), p.2734

2024

Volltextzugriff (PDF)

Computing the Heat Conductivity of Fluids from Density Fluctuations

Physical review letters, 2020-09, Vol.125 (13), p.1-130602, Article 130602

2020

Volltextzugriff (PDF)

Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures

The Journal of chemical physics, 2024-07, Vol.161 (3)

2024

Volltextzugriff (PDF)

1 – 25 von 262

Menü

Weitere Dienste

Einstellungen

Computing chemical potentials of solutions from structure factors

Quantum-mechanical exploration of the phase diagram of water

Evidence for supercritical behaviour of high-pressure liquid hydrogen

Cartesian atomic cluster expansion for machine learning interatomic potentials

Liquid water contains the building blocks of diverse ice phases

Ab initio thermodynamics of liquid and solid water

Computing chemical potentials of adsorbed or confined fluids

Thermodynamics of diamond formation from hydrocarbon mixtures in planets

Phase behaviours of superionic water at planetary conditions

Communication: Computing the Tolman length for solid-liquid interfaces

Bridging the gap between atomistic and macroscopic models of homogeneous nucleation

A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals

Direct path integral estimators for isotope fractionation ratios

Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids

Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics

High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential

Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations

The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit

Thermodynamics of high-pressure ice phases explored with atomistic simulations

Response Matching for Generating Materials and Molecules

The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study

Flood Inundation Probability Estimation by Integrating Physical and Social Sensing Data: Case Study of 2021 Heavy Rainfall in Henan, China

Computing the Heat Conductivity of Fluids from Density Fluctuations

Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures

Suchergebnisse filtern