Xuanyu Zhu

Xuanyu Zhu

University of California San Diego - San Diego / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5720513
person_outline Xuanyu Zhu's MOST POPULAR ARTICLES
1-) MB-pol (2023): Sub-chemical Accuracy for Water Simulations from the Gas to the Liquid Phase Journal of Chemical Theory and Computation 19 (12), 3551-3566, 2023
2-) MBX: A many-body energy and force calculator for data-driven many-body simulations The Journal of Chemical Physics 159 (5), 2023
3-) Accurate modeling of bromide and iodide hydration with data-driven many-body potentials The Journal of Physical Chemistry B 126 (41), 8266-8278, 2022
4-) Current status of the MB-pol data-driven many-body potential for predictive simulations of water across different phases Journal of Chemical Theory and Computation 20 (21), 9269-9289, 2024
5-) MBX V1. 2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations Journal of Chemical Theory and Computation 21 (4), 1838-1849, 2025