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Journal of Chemical Theory and Computation
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October 31, 2025
Scalable Multitemperature Free Energy Sampling of Classical Ising Spin States
Ping Tuo, Zezhu Zeng, Jiale Chen, et al.
Nature
|
December 16, 2021
Reply to: On the liquid-liquid phase transition of dense hydrogen
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, et al.
Journal of the American Chemical Society
|
June 30, 2023
Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane
Rhys J Bunting, Felix Wodaczek, Tina Torabi, et al.
Nature Communications
|
October 1, 2025
Machine learning of charges and long-range interactions from energies and forces
Daniel S King, Dongjin Kim, Peichen Zhong, et al.
Nature
|
September 10, 2020
Evidence for supercritical behaviour of high-pressure liquid hydrogen
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, et al.
Frontiers in Pharmacology
|
June 30, 2025
Identification of an Ara-C resistance-related gene risk score and the role of S100A4 in AML via NR6A1-dependent activation and p53 regulation
Li Wang, Aoshuang Huang, Bingqing Cheng, et al.
Nature Communications
|
November 14, 2020
Liquid water contains the building blocks of diverse ice phases
Bartomeu Monserrat, Jan Gerit Brandenburg, Edgar A Engel, et al.
PNAS Nexus
|
January 30, 2023
Ranking the information content of distance measures
Aldo Glielmo, Claudio Zeni, Bingqing Cheng, et al.
Journal of Chemical Theory and Computation
|
May 9, 2025
Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation
Rose K Cersonsky, Bingqing Cheng, Marco De Vivo, et al.
Nature Communications
|
January 2, 2025
Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance
Romina Wild, Felix Wodaczek, Vittorio Del Tatto, et al.
Page
of 6
Search research articles
Search
Showing results (21-30 of 55) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
October 31, 2025
Scalable Multitemperature Free Energy Sampling of Classical Ising Spin States
Ping Tuo, Zezhu Zeng, Jiale Chen, et al.
Nature
|
December 16, 2021
Reply to: On the liquid-liquid phase transition of dense hydrogen
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, et al.
Journal of the American Chemical Society
|
June 30, 2023
Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane
Rhys J Bunting, Felix Wodaczek, Tina Torabi, et al.
Nature Communications
|
October 1, 2025
Machine learning of charges and long-range interactions from energies and forces
Daniel S King, Dongjin Kim, Peichen Zhong, et al.
Nature
|
September 10, 2020
Evidence for supercritical behaviour of high-pressure liquid hydrogen
Bingqing Cheng, Guglielmo Mazzola, Chris J Pickard, et al.
Frontiers in Pharmacology
|
June 30, 2025
Identification of an Ara-C resistance-related gene risk score and the role of S100A4 in AML via NR6A1-dependent activation and p53 regulation
Li Wang, Aoshuang Huang, Bingqing Cheng, et al.
Nature Communications
|
November 14, 2020
Liquid water contains the building blocks of diverse ice phases
Bartomeu Monserrat, Jan Gerit Brandenburg, Edgar A Engel, et al.
PNAS Nexus
|
January 30, 2023
Ranking the information content of distance measures
Aldo Glielmo, Claudio Zeni, Bingqing Cheng, et al.
Journal of Chemical Theory and Computation
|
May 9, 2025
Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation
Rose K Cersonsky, Bingqing Cheng, Marco De Vivo, et al.
Nature Communications
|
January 2, 2025
Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance
Romina Wild, Felix Wodaczek, Vittorio Del Tatto, et al.
Page
of 6