日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Constrained Density Functional Theory: A Potential-Based Self-Consistency Approach

约束密度泛函理论：一种基于势的自洽方法

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.2c00673
Gonze, Xavier; Seddon, Benjamin; Elliott, James A; Tantardini, Christian; Shapeev, Alexander V
发表日期：2022
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First-Principles Multiscale Modeling of Mechanical Properties in Graphene/Borophene Heterostructures Empowered by Machine-Learning Interatomic Potentials

基于机器学习原子间势的石墨烯/硼烯异质结构力学性能的第一性原理多尺度建模

期刊:Advanced Materials
影响因子:26.8
doi:10.1002/adma.202102807
Mortazavi, Bohayra; Silani, Mohammad; Podryabinkin, Evgeny V; Rabczuk, Timon; Zhuang, Xiaoying; Shapeev, Alexander V
发表日期：2021
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Metallization of diamond

金刚石的金属化

期刊:Proceedings of the National Academy of Sciences of the United States of America
影响因子:9.1
doi:10.1073/pnas.2013565117
Shi, Zhe; Dao, Ming; Tsymbalov, Evgenii; Shapeev, Alexander; Li, Ju; Suresh, Subra
发表日期：2020
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Deep elastic strain engineering of bandgap through machine learning

通过机器学习实现带隙的深度弹性应变工程

期刊:Proceedings of the National Academy of Sciences of the United States of America
影响因子:9.1
doi:10.1073/pnas.1818555116
Shi, Zhe; Tsymbalov, Evgenii; Dao, Ming; Suresh, Subra; Shapeev, Alexander; Li, Ju
发表日期：2019
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