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Bingqing Cheng
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Ab initio thermodynamics of liquid and solid water
B Cheng, EA Engel, J Behler, C Dellago, M Ceriotti
Proceedings of the National Academy of Sciences 116 (4), 1110-1115, 2019
1752019
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
1612019
Combining machine learning and computational chemistry for predictive insights into chemical systems
JA Keith, V Vassilev-Galindo, B Cheng, S Chmiela, M Gastegger, ...
Chemical reviews 121 (16), 9816-9872, 2021
892021
Evidence for supercritical behaviour of high-pressure liquid hydrogen
B Cheng, G Mazzola, CJ Pickard, M Ceriotti
Nature 585 (7824), 217-220, 2020
672020
Nuclear quantum effects in water at the triple point: Using theory as a link between experiments
B Cheng, J Behler, M Ceriotti
The journal of physical chemistry letters 7 (12), 2210-2215, 2016
612016
The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study
B Cheng, AHW Ngan
Computational materials science 74, 1-11, 2013
572013
Mapping materials and molecules
B Cheng, RR Griffiths, S Wengert, C Kunkel, T Stenczel, B Zhu, ...
Accounts of Chemical Research 53 (9), 1981-1991, 2020
422020
Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids
B Cheng, M Ceriotti
Physical Review B 97 (5), 054102, 2018
412018
A new dislocation-density-function dynamics scheme for computational crystal plasticity by explicit consideration of dislocation elastic interactions
HS Leung, PSS Leung, B Cheng, AHW Ngan
International Journal of Plasticity 67, 1-25, 2015
402015
The crystal structures of sintered copper nanoparticles: A molecular dynamics study
B Cheng, AHW Ngan
International Journal of Plasticity 47, 65-79, 2013
372013
Solid-liquid interfacial free energy out of equilibrium
B Cheng, GA Tribello, M Ceriotti
Physical Review B 92 (18), 180102, 2015
362015
Direct path integral estimators for isotope fractionation ratios
B Cheng, M Ceriotti
The Journal of chemical physics 141 (24), 244112, 2014
352014
Liquid water contains the building blocks of diverse ice phases
B Monserrat, JG Brandenburg, EA Engel, B Cheng
Nature communications 11 (1), 1-8, 2020
282020
Hydrogen Diffusion and Trapping in -Iron: The Role of Quantum and Anharmonic Fluctuations
B Cheng, AT Paxton, M Ceriotti
Physical review letters 120 (22), 225901, 2018
232018
Quantum-mechanical exploration of the phase diagram of water
A Reinhardt, B Cheng
Nature communications 12 (1), 1-7, 2021
212021
Bridging the gap between atomistic and macroscopic models of homogeneous nucleation
B Cheng, M Ceriotti
The Journal of chemical physics 146 (3), 034106, 2017
202017
Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics
B Cheng, C Dellago, M Ceriotti
Physical Chemistry Chemical Physics 20 (45), 28732-28740, 2018
182018
Communication: Computing the Tolman length for solid-liquid interfaces
B Cheng, M Ceriotti
The Journal of chemical physics 148 (23), 231102, 2018
162018
Iterative unbiasing of quasi-equilibrium sampling
F Giberti, B Cheng, GA Tribello, M Ceriotti
Journal of chemical theory and computation 16 (1), 100-107, 2019
152019
The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit
B Cheng, GA Tribello, M Ceriotti
The Journal of Chemical Physics 147 (10), 104707, 2017
152017
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Articles 1–20