Bingqing Cheng
Cheng Group
41 Publications
2023 | Journal Article | IST-REx-ID: 12702 |
Cheng B, Hamel S, Bethkenhagen M. Thermodynamics of diamond formation from hydrocarbon mixtures in planets. Nature Communications. 2023;14. doi:10.1038/s41467-023-36841-1
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Journal Article | IST-REx-ID: 12879 |
Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning of localized intensive properties. Chemical Science. 2023. doi:10.1039/d3sc00841j
[Published Version]
View
| Files available
| DOI
| WoS
2023 | Journal Article | IST-REx-ID: 12912 |
Schmid R, Cheng B. Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. 2023;158(16). doi:10.1063/5.0146711
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv
2023 | Journal Article | IST-REx-ID: 13216 |
Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Journal Article | IST-REx-ID: 14603 |
Reinhardt A, Chew PY, Cheng B. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. 2023;159(18). doi:10.1063/5.0173341
[Published Version]
View
| Files available
| DOI
| arXiv
2023 | Research Data Reference | IST-REx-ID: 14619 |
Cheng B. BingqingCheng/solubility: V1.0. 2023. doi:10.5281/ZENODO.8398094
[Published Version]
View
| Files available
| DOI
| Download Published Version (ext.)
2023 | Journal Article | IST-REx-ID: 14425 |
Zeng Z, Wodaczek F, Liu K, et al. Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. 2023;14. doi:10.1038/s41467-023-41865-8
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv
2022 | Journal Article | IST-REx-ID: 10827 |
Lee JG, Pickard CJ, Cheng B. High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential. The Journal of chemical physics. 2022;156(7). doi:10.1063/5.0079844
[Preprint]
View
| DOI
| Download Preprint (ext.)
| WoS
| arXiv
2022 | Journal Article | IST-REx-ID: 11937 |
Reinhardt A, Bethkenhagen M, Coppari F, Millot M, Hamel S, Cheng B. Thermodynamics of high-pressure ice phases explored with atomistic simulations. Nature Communications. 2022;13. doi:10.1038/s41467-022-32374-1
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2022 | Journal Article | IST-REx-ID: 12128 |
Poelking C, Faber FA, Cheng B. BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale. Machine Learning: Science and Technology. 2022;3(4). doi:10.1088/2632-2153/ac4d11
[Published Version]
View
| Files available
| DOI
| WoS
2022 | Journal Article | IST-REx-ID: 12249 |
Cheng B. Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. 2022;157(12). doi:10.1063/5.0107059
[Published Version]
View
| Files available
| DOI
| WoS
2021 | Journal Article | IST-REx-ID: 9669 |
Reinhardt A, Cheng B. Quantum-mechanical exploration of the phase diagram of water. Nature Communications. 2021;12(1). doi:10.1038/s41467-020-20821-w
[Published Version]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
2021 | Preprint | IST-REx-ID: 9695 |
Glielmo A, Zeni C, Cheng B, Csanyi G, Laio A. Ranking the information content of distance measures. arXiv.
[Preprint]
View
| Download Preprint (ext.)
| arXiv
2021 | Preprint | IST-REx-ID: 9696 |
Cheng B, Bethkenhagen M, Pickard CJ, Hamel S. Predicting the phase behaviors of superionic water at planetary conditions. arXiv.
[Preprint]
View
| Download Preprint (ext.)
| arXiv
2021 | Journal Article | IST-REx-ID: 9698 |
Keith JA, Valentin Vassilev-Galindo V, Cheng B, et al. Combining machine learning and computational chemistry for predictive insights into chemical systems. Chemical Reviews. 2021;121(16):9816-9872. doi:10.1021/acs.chemrev.1c00107
[Published Version]
View
| DOI
| Download Published Version (ext.)
| arXiv
2020 | Journal Article | IST-REx-ID: 9675
Cheng B, Griffiths R-R, Wengert S, et al. Mapping materials and molecules. Accounts of Chemical Research. 2020;53(9):1981-1991. doi:10.1021/acs.accounts.0c00403
View
| DOI
| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 2020;22(22):12697-12705. doi:10.1039/d0cp02513e
[Published Version]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9671 |
Monserrat B, Brandenburg JG, Engel EA, Cheng B. Liquid water contains the building blocks of diverse ice phases. Nature Communications. 2020;11(1). doi:10.1038/s41467-020-19606-y
[Published Version]
View
| Files available
| DOI
2020 | Journal Article | IST-REx-ID: 9658 |
Cheng B, Ceriotti M, Tribello GA. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 2020;152(4). doi:10.1063/1.5134461
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9664 |
Cheng B, Frenkel D. Computing the heat conductivity of fluids from density fluctuations. Physical Review Letters. 2020;125(13). doi:10.1103/physrevlett.125.130602
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9685 |
Cheng B, Mazzola G, Pickard CJ, Ceriotti M. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature. 2020;585(7824):217-220. doi:10.1038/s41586-020-2677-y
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Preprint | IST-REx-ID: 9699 |
Monserrat B, Brandenburg JG, Engel EA, Cheng B. Extracting ice phases from liquid water: Why a machine-learning water model generalizes so well. arXiv. doi:10.48550/arXiv.2006.13316
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| arXiv
2019 | Journal Article | IST-REx-ID: 9689 |
Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences. 2019;116(4):1110-1115. doi:10.1073/pnas.1815117116
[Published Version]
View
| DOI
| Download Published Version (ext.)
| PubMed | Europe PMC
| arXiv
2019 | Journal Article | IST-REx-ID: 9677 |
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, Ceriotti M. 2019. i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications. 236, 214–223.
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2019 | Journal Article | IST-REx-ID: 9680 |
Giberti F, Cheng B, Tribello GA, Ceriotti M. Iterative unbiasing of quasi-equilibrium sampling. Journal of Chemical Theory and Computation. 2019;16(1):100-107. doi:10.1021/acs.jctc.9b00907
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics. 2018;20(45):28732-28740. doi:10.1039/c8cp04561e
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9687 |
Cheng B, Ceriotti M. Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids. Physical Review B. 2018;97(5). doi:10.1103/physrevb.97.054102
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2018 | Journal Article | IST-REx-ID: 9665 |
Cheng B, Paxton AT, Ceriotti M. Hydrogen diffusion and trapping in α-iron: The role of quantum and anharmonic fluctuations. Physical Review Letters. 2018;120(22). doi:10.1103/physrevlett.120.225901
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9659 |
Cheng B, Ceriotti M. Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of Chemical Physics. 2018;148(23). doi:10.1063/1.5038396
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2017 | Journal Article | IST-REx-ID: 9660 |
Cheng B, Tribello GA, Ceriotti M. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. The Journal of Chemical Physics. 2017;147(10). doi:10.1063/1.4997180
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2017 | Journal Article | IST-REx-ID: 9661 |
Cheng B, Ceriotti M. Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. The Journal of Chemical Physics. 2017;146(3). doi:10.1063/1.4973883
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2016 | Journal Article | IST-REx-ID: 9681
Cheng B, Behler J, Ceriotti M. Nuclear quantum effects in water at the triple point: Using theory as a link between experiments. The Journal of Physical Chemistry Letters. 2016;7(12):2210-2215. doi:10.1021/acs.jpclett.6b00729
View
| DOI
| PubMed | Europe PMC
2015 | Journal Article | IST-REx-ID: 9673
Leung HS, Leung PSS, Cheng B, Ngan AHW. A new dislocation-density-function dynamics scheme for computational crystal plasticity by explicit consideration of dislocation elastic interactions. International Journal of Plasticity. 2015;67:1-25. doi:10.1016/j.ijplas.2014.09.009
View
| DOI
2015 | Journal Article | IST-REx-ID: 9688 |
Cheng B, Tribello GA, Ceriotti M. Solid-liquid interfacial free energy out of equilibrium. Physical Review B - Condensed Matter and Materials Physics. 2015;92(18). doi:10.1103/physrevb.92.180102
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2015 | Journal Article | IST-REx-ID: 9684
Leung PSS, Leung HS, Cheng B, Ngan AHW. Size dependence of yield strength simulated by a dislocation-density function dynamics approach. Modelling and Simulation in Materials Science and Engineering. 2015;23(3). doi:10.1088/0965-0393/23/3/035001
View
| DOI
2014 | Journal Article | IST-REx-ID: 9686
Cheng B, Leung HS, Ngan AHW. Strength of metals under vibrations – dislocation-density-function dynamics simulations. Philosophical Magazine. 2014;95(16-18):1845-1865. doi:10.1080/14786435.2014.897008
View
| DOI
2014 | Journal Article | IST-REx-ID: 9662 |
Cheng B, Ceriotti M. Direct path integral estimators for isotope fractionation ratios. The Journal of Chemical Physics. 2014;141(24). doi:10.1063/1.4904293
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2013 | Journal Article | IST-REx-ID: 9674
Cheng B, Ngan AHW. The crystal structures of sintered copper nanoparticles: A molecular dynamics study. International Journal of Plasticity. 2013;47:65-79. doi:10.1016/j.ijplas.2013.01.006
View
| DOI
2013 | Journal Article | IST-REx-ID: 9676
Cheng B, Ngan AHW. The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study. Computational Materials Science. 2013;74:1-11. doi:10.1016/j.commatsci.2013.03.014
View
| DOI
2013 | Journal Article | IST-REx-ID: 9663 |
Cheng B, Ngan AHW. Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion. The Journal of Chemical Physics. 2013;138(16). doi:10.1063/1.4802025
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
2013 | Journal Article | IST-REx-ID: 9682
Cheng B, Ngan AHW. Crystal plasticity of Cu nanocrystals during collision. Materials Science and Engineering: A. 2013;585:326-334. doi:10.1016/j.msea.2013.07.065
View
| DOI
41 Publications
2023 | Journal Article | IST-REx-ID: 12702 |
Cheng B, Hamel S, Bethkenhagen M. Thermodynamics of diamond formation from hydrocarbon mixtures in planets. Nature Communications. 2023;14. doi:10.1038/s41467-023-36841-1
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Journal Article | IST-REx-ID: 12879 |
Chen K, Kunkel C, Cheng B, Reuter K, Margraf JT. Physics-inspired machine learning of localized intensive properties. Chemical Science. 2023. doi:10.1039/d3sc00841j
[Published Version]
View
| Files available
| DOI
| WoS
2023 | Journal Article | IST-REx-ID: 12912 |
Schmid R, Cheng B. Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. 2023;158(16). doi:10.1063/5.0146711
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv
2023 | Journal Article | IST-REx-ID: 13216 |
Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2023 | Journal Article | IST-REx-ID: 14603 |
Reinhardt A, Chew PY, Cheng B. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. 2023;159(18). doi:10.1063/5.0173341
[Published Version]
View
| Files available
| DOI
| arXiv
2023 | Research Data Reference | IST-REx-ID: 14619 |
Cheng B. BingqingCheng/solubility: V1.0. 2023. doi:10.5281/ZENODO.8398094
[Published Version]
View
| Files available
| DOI
| Download Published Version (ext.)
2023 | Journal Article | IST-REx-ID: 14425 |
Zeng Z, Wodaczek F, Liu K, et al. Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. 2023;14. doi:10.1038/s41467-023-41865-8
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
| arXiv
2022 | Journal Article | IST-REx-ID: 10827 |
Lee JG, Pickard CJ, Cheng B. High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential. The Journal of chemical physics. 2022;156(7). doi:10.1063/5.0079844
[Preprint]
View
| DOI
| Download Preprint (ext.)
| WoS
| arXiv
2022 | Journal Article | IST-REx-ID: 11937 |
Reinhardt A, Bethkenhagen M, Coppari F, Millot M, Hamel S, Cheng B. Thermodynamics of high-pressure ice phases explored with atomistic simulations. Nature Communications. 2022;13. doi:10.1038/s41467-022-32374-1
[Published Version]
View
| Files available
| DOI
| WoS
| PubMed | Europe PMC
2022 | Journal Article | IST-REx-ID: 12128 |
Poelking C, Faber FA, Cheng B. BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale. Machine Learning: Science and Technology. 2022;3(4). doi:10.1088/2632-2153/ac4d11
[Published Version]
View
| Files available
| DOI
| WoS
2022 | Journal Article | IST-REx-ID: 12249 |
Cheng B. Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. 2022;157(12). doi:10.1063/5.0107059
[Published Version]
View
| Files available
| DOI
| WoS
2021 | Journal Article | IST-REx-ID: 9669 |
Reinhardt A, Cheng B. Quantum-mechanical exploration of the phase diagram of water. Nature Communications. 2021;12(1). doi:10.1038/s41467-020-20821-w
[Published Version]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
2021 | Preprint | IST-REx-ID: 9695 |
Glielmo A, Zeni C, Cheng B, Csanyi G, Laio A. Ranking the information content of distance measures. arXiv.
[Preprint]
View
| Download Preprint (ext.)
| arXiv
2021 | Preprint | IST-REx-ID: 9696 |
Cheng B, Bethkenhagen M, Pickard CJ, Hamel S. Predicting the phase behaviors of superionic water at planetary conditions. arXiv.
[Preprint]
View
| Download Preprint (ext.)
| arXiv
2021 | Journal Article | IST-REx-ID: 9698 |
Keith JA, Valentin Vassilev-Galindo V, Cheng B, et al. Combining machine learning and computational chemistry for predictive insights into chemical systems. Chemical Reviews. 2021;121(16):9816-9872. doi:10.1021/acs.chemrev.1c00107
[Published Version]
View
| DOI
| Download Published Version (ext.)
| arXiv
2020 | Journal Article | IST-REx-ID: 9675
Cheng B, Griffiths R-R, Wengert S, et al. Mapping materials and molecules. Accounts of Chemical Research. 2020;53(9):1981-1991. doi:10.1021/acs.accounts.0c00403
View
| DOI
| PubMed | Europe PMC
2020 | Journal Article | IST-REx-ID: 9666 |
Reinhardt A, Pickard CJ, Cheng B. Predicting the phase diagram of titanium dioxide with random search and pattern recognition. Physical Chemistry Chemical Physics. 2020;22(22):12697-12705. doi:10.1039/d0cp02513e
[Published Version]
View
| Files available
| DOI
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9671 |
Monserrat B, Brandenburg JG, Engel EA, Cheng B. Liquid water contains the building blocks of diverse ice phases. Nature Communications. 2020;11(1). doi:10.1038/s41467-020-19606-y
[Published Version]
View
| Files available
| DOI
2020 | Journal Article | IST-REx-ID: 9658 |
Cheng B, Ceriotti M, Tribello GA. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 2020;152(4). doi:10.1063/1.5134461
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9664 |
Cheng B, Frenkel D. Computing the heat conductivity of fluids from density fluctuations. Physical Review Letters. 2020;125(13). doi:10.1103/physrevlett.125.130602
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Journal Article | IST-REx-ID: 9685 |
Cheng B, Mazzola G, Pickard CJ, Ceriotti M. Evidence for supercritical behaviour of high-pressure liquid hydrogen. Nature. 2020;585(7824):217-220. doi:10.1038/s41586-020-2677-y
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2020 | Preprint | IST-REx-ID: 9699 |
Monserrat B, Brandenburg JG, Engel EA, Cheng B. Extracting ice phases from liquid water: Why a machine-learning water model generalizes so well. arXiv. doi:10.48550/arXiv.2006.13316
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| arXiv
2019 | Journal Article | IST-REx-ID: 9689 |
Cheng B, Engel EA, Behler J, Dellago C, Ceriotti M. Ab initio thermodynamics of liquid and solid water. Proceedings of the National Academy of Sciences. 2019;116(4):1110-1115. doi:10.1073/pnas.1815117116
[Published Version]
View
| DOI
| Download Published Version (ext.)
| PubMed | Europe PMC
| arXiv
2019 | Journal Article | IST-REx-ID: 9677 |
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, Ceriotti M. 2019. i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications. 236, 214–223.
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2019 | Journal Article | IST-REx-ID: 9680 |
Giberti F, Cheng B, Tribello GA, Ceriotti M. Iterative unbiasing of quasi-equilibrium sampling. Journal of Chemical Theory and Computation. 2019;16(1):100-107. doi:10.1021/acs.jctc.9b00907
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9668 |
Cheng B, Dellago C, Ceriotti M. Theoretical prediction of the homogeneous ice nucleation rate: Disentangling thermodynamics and kinetics. Physical Chemistry Chemical Physics. 2018;20(45):28732-28740. doi:10.1039/c8cp04561e
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9687 |
Cheng B, Ceriotti M. Computing the absolute Gibbs free energy in atomistic simulations: Applications to defects in solids. Physical Review B. 2018;97(5). doi:10.1103/physrevb.97.054102
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2018 | Journal Article | IST-REx-ID: 9665 |
Cheng B, Paxton AT, Ceriotti M. Hydrogen diffusion and trapping in α-iron: The role of quantum and anharmonic fluctuations. Physical Review Letters. 2018;120(22). doi:10.1103/physrevlett.120.225901
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2018 | Journal Article | IST-REx-ID: 9659 |
Cheng B, Ceriotti M. Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of Chemical Physics. 2018;148(23). doi:10.1063/1.5038396
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2017 | Journal Article | IST-REx-ID: 9660 |
Cheng B, Tribello GA, Ceriotti M. The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit. The Journal of Chemical Physics. 2017;147(10). doi:10.1063/1.4997180
[Submitted Version]
View
| DOI
| Download Submitted Version (ext.)
| PubMed | Europe PMC
| arXiv
2017 | Journal Article | IST-REx-ID: 9661 |
Cheng B, Ceriotti M. Bridging the gap between atomistic and macroscopic models of homogeneous nucleation. The Journal of Chemical Physics. 2017;146(3). doi:10.1063/1.4973883
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2016 | Journal Article | IST-REx-ID: 9681
Cheng B, Behler J, Ceriotti M. Nuclear quantum effects in water at the triple point: Using theory as a link between experiments. The Journal of Physical Chemistry Letters. 2016;7(12):2210-2215. doi:10.1021/acs.jpclett.6b00729
View
| DOI
| PubMed | Europe PMC
2015 | Journal Article | IST-REx-ID: 9673
Leung HS, Leung PSS, Cheng B, Ngan AHW. A new dislocation-density-function dynamics scheme for computational crystal plasticity by explicit consideration of dislocation elastic interactions. International Journal of Plasticity. 2015;67:1-25. doi:10.1016/j.ijplas.2014.09.009
View
| DOI
2015 | Journal Article | IST-REx-ID: 9688 |
Cheng B, Tribello GA, Ceriotti M. Solid-liquid interfacial free energy out of equilibrium. Physical Review B - Condensed Matter and Materials Physics. 2015;92(18). doi:10.1103/physrevb.92.180102
[Preprint]
View
| DOI
| Download Preprint (ext.)
| arXiv
2015 | Journal Article | IST-REx-ID: 9684
Leung PSS, Leung HS, Cheng B, Ngan AHW. Size dependence of yield strength simulated by a dislocation-density function dynamics approach. Modelling and Simulation in Materials Science and Engineering. 2015;23(3). doi:10.1088/0965-0393/23/3/035001
View
| DOI
2014 | Journal Article | IST-REx-ID: 9686
Cheng B, Leung HS, Ngan AHW. Strength of metals under vibrations – dislocation-density-function dynamics simulations. Philosophical Magazine. 2014;95(16-18):1845-1865. doi:10.1080/14786435.2014.897008
View
| DOI
2014 | Journal Article | IST-REx-ID: 9662 |
Cheng B, Ceriotti M. Direct path integral estimators for isotope fractionation ratios. The Journal of Chemical Physics. 2014;141(24). doi:10.1063/1.4904293
[Preprint]
View
| DOI
| Download Preprint (ext.)
| PubMed | Europe PMC
| arXiv
2013 | Journal Article | IST-REx-ID: 9674
Cheng B, Ngan AHW. The crystal structures of sintered copper nanoparticles: A molecular dynamics study. International Journal of Plasticity. 2013;47:65-79. doi:10.1016/j.ijplas.2013.01.006
View
| DOI
2013 | Journal Article | IST-REx-ID: 9676
Cheng B, Ngan AHW. The sintering and densification behaviour of many copper nanoparticles: A molecular dynamics study. Computational Materials Science. 2013;74:1-11. doi:10.1016/j.commatsci.2013.03.014
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2013 | Journal Article | IST-REx-ID: 9663 |
Cheng B, Ngan AHW. Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion. The Journal of Chemical Physics. 2013;138(16). doi:10.1063/1.4802025
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2013 | Journal Article | IST-REx-ID: 9682
Cheng B, Ngan AHW. Crystal plasticity of Cu nanocrystals during collision. Materials Science and Engineering: A. 2013;585:326-334. doi:10.1016/j.msea.2013.07.065
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