Dr Bingqing Cheng

Elements publications

Journal articles

2020

Cheng, B., Ceriotti, M. and Tribello, GA., 2020. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. J Chem Phys, v. 152
Doi: http://doi.org/10.1063/1.5134461

Cheng, B., Griffiths, R-R., Wengert, S., Kunkel, C., Stenczel, T., Zhu, B., Deringer, VL., Bernstein, N., Margraf, JT., Reuter, K. and Csanyi, G., 2020. Mapping Materials and Molecules. Acc Chem Res,
Doi: http://doi.org/10.1021/acs.accounts.0c00403

Cheng, B., Mazzola, G., Pickard, CJ. and Ceriotti, M., 2020. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature, v. 585
Doi: http://doi.org/10.1038/s41586-020-2677-y

Cheng, B. and Frenkel, D., 2020. Computing the Heat Conductivity of Fluids from Density Fluctuations. Phys Rev Lett, v. 125
Doi: http://doi.org/10.1103/PhysRevLett.125.130602

Monserrat, B., Brandenburg, JG., Engel, EA. and Cheng, B., 2020. Liquid water contains the building blocks of diverse ice phases. Nat Commun, v. 11
Doi: http://doi.org/10.1038/s41467-020-19606-y

Giberti, F., Cheng, B., Tribello, GA. and Ceriotti, M., 2020. Iterative Unbiasing of Quasi-Equilibrium Sampling. J Chem Theory Comput, v. 16
Doi: http://doi.org/10.1021/acs.jctc.9b00907

2019

Cheng, B., Engel, EA., Behler, J., Dellago, C. and Ceriotti, M., 2019. Ab initio thermodynamics of liquid and solid water. Proc Natl Acad Sci U S A, v. 116
Doi: http://doi.org/10.1073/pnas.1815117116

Kapil, V., Rossi, M., Marsalek, O., Petraglia, R., Litman, Y., Spura, T., Cheng, B., Cuzzocrea, A., Meißner, RH., Wilkins, DM., Helfrecht, BA., Juda, P., Bienvenue, SP., Fang, W., Kessler, J., Poltavsky, I., Vandenbrande, S., Wieme, J., Corminboeuf, C., Kühne, TD., Manolopoulos, DE., Markland, TE., Richardson, JO., Tkatchenko, A., Tribello, GA., Van Speybroeck, V. and Ceriotti, M., 2019. i-PI 2.0: A universal force engine for advanced molecular simulations Computer Physics Communications, v. 236
Doi: 10.1016/j.cpc.2018.09.020

2018

Cheng, B. and Ceriotti, M., 2018. Communication: Computing the Tolman length for solid-liquid interfaces. J Chem Phys, v. 148
Doi: http://doi.org/10.1063/1.5038396

Cheng, B. and Ceriotti, M., 2018. Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids Physical Review B, v. 97
Doi: 10.1103/PhysRevB.97.054102

Cheng, B., Dellago, C. and Ceriotti, M., 2018. Theoretical prediction of the homogeneous ice nucleation rate: disentangling thermodynamics and kinetics. Phys Chem Chem Phys, v. 20
Doi: http://doi.org/10.1039/c8cp04561e

Cheng, B., Paxton, AT. and Ceriotti, M., 2018. Hydrogen Diffusion and Trapping in α-Iron: The Role of Quantum and Anharmonic Fluctuations. Phys Rev Lett, v. 120
Doi: http://doi.org/10.1103/PhysRevLett.120.225901

2017

Cheng, B., Tribello, GA. and Ceriotti, M., 2017. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. J Chem Phys, v. 147
Doi: http://doi.org/10.1063/1.4997180

Cheng, B. and Ceriotti, M., 2017. Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. J Chem Phys, v. 146
Doi: http://doi.org/10.1063/1.4973883

2016

Cheng, B., Behler, J. and Ceriotti, M., 2016. Nuclear Quantum Effects in Water at the Triple Point: Using Theory as a Link Between Experiments. J Phys Chem Lett, v. 7
Doi: http://doi.org/10.1021/acs.jpclett.6b00729

2015

Cheng, B., Tribello, GA. and Ceriotti, M., 2015. Solid-liquid interfacial free energy out of equilibrium Physical Review B - Condensed Matter and Materials Physics, v. 92
Doi: 10.1103/PhysRevB.92.180102

Cheng, B., Leung, HS. and Ngan, AHW., 2015. Strength of metals under vibrations - Dislocation-density-function dynamics simulations Philosophical Magazine, v. 95
Doi: 10.1080/14786435.2014.897008

Leung, HS., Leung, PSS., Cheng, B. and Ngan, AHW., 2015. A new dislocation-density-function dynamics scheme for computational crystal plasticity by explicit consideration of dislocation elastic interactions International Journal of Plasticity, v. 67
Doi: 10.1016/j.ijplas.2014.09.009

Leung, PSS., Leung, HS., Cheng, B. and Ngan, AHW., 2015. Size dependence of yield strength simulated by a dislocation-density function dynamics approach Modelling and Simulation in Materials Science and Engineering, v. 23
Doi: 10.1088/0965-0393/23/3/035001

2014

Cheng, B. and Ceriotti, M., 2014. Direct path integral estimators for isotope fractionation ratios. J Chem Phys, v. 141
Doi: http://doi.org/10.1063/1.4904293

2013

Cheng, B. and Ngan, AHW., 2013. Crystal plasticity of Cu nanocrystals during collision Materials Science and Engineering A, v. 585
Doi: http://doi.org/10.1016/j.msea.2013.07.065

Cheng, B. and Ngan, AHW., 2013. The crystal structures of sintered copper nanoparticles: A molecular dynamics study International Journal of Plasticity, v. 47
Doi: http://doi.org/10.1016/j.ijplas.2013.01.006

Cheng, B. and Ngan, AHW., 2013. The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study Computational Materials Science, v. 74
Doi: http://doi.org/10.1016/j.commatsci.2013.03.014

Cheng, B. and Ngan, AHW., 2013. Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion. J Chem Phys, v. 138
Doi: http://doi.org/10.1063/1.4802025

Reinhardt, A. and Cheng, B., Quantum-mechanical exploration of the phase diagram of water Nature Communications,
Doi: http://doi.org/10.1038/s41467-020-20821-w

Reinhardt, A., Pickard, CJ. and Cheng, B., Predicting the phase diagram of titanium dioxide with random search and pattern recognition Physical Chemistry Chemical Physics,
Doi: http://doi.org/10.1039/d0cp02513e

William Gates Building
JJ Thomson Avenue
Cambridge. CB3 0FD

Information provided by pagemaster@cst.cam.ac.uk

Themes

Elements publications

2020

2019

2018

2017

2016

2015

2014

2013

Contact Details

Contact us

Social media

Study at Cambridge

About the University

Research at Cambridge