未登录Unlocking the future of materials science: key insights from the DCTMD workshop解锁材料科学的未来:DCTMD 工作坊的关键见解
Kobayashi, Rika; Amos, Roger D.; Crawford, T. Daniel; Hao, Hongxia; Liu, Yi; Lookman, Turab; Ramprasad, Rampi; Scheffler, Matthias; Wang, Hong; Zhang, Tong-Yi
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收藏Predicting equilibrium distributions for molecular systems with deep learning (vol 6, pg 558, 2024)用深度学习预测分子系统的平衡分布 (第6卷,558页,2024)
Zheng, Shuxin; He, Jiyan; Liu, Chang; Shi, Yu; Lu, Ziheng; Feng, Weitao; Ju, Fusong; Wang, Jiaxi; Zhu, Jianwei; Min, Yaosen; Zhang, He; Tang, Shidi; Hao, Hongxia; Jin, Peiran; Chen, Chi; Noe, Frank; Liu, Haiguang; Liu, Tie-Yan
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收藏Predicting equilibrium distributions for molecular systems with deep learning基于深度学习的分子系统平衡分布预测
Zheng, Shuxin; He, Jiyan; Liu, Chang; Shi, Yu; Lu, Ziheng; Feng, Weitao; Ju, Fusong; Wang, Jiaxi; Zhu, Jianwei; Min, Yaosen; Zhang, He; Tang, Shidi; Hao, Hongxia; Jin, Peiran; Chen, Chi; Noe, Frank; Liu, Haiguang; Liu, Tie-Yan
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收藏NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forcesNewtonNet: 用于深入学习原子间势和力的牛顿消息传递网络
Haghighatlari, Mojtaba; Li, Jie; Guan, Xingyi; Zhang, Oufan; Das, Akshaya; Stein, Christopher J.; Heidar-Zadeh, Farnaz; Liu, Meili; Head-Gordon, Martin; Bertels, Luke; Hao, Hongxia; Leven, Itai; Head-Gordon, Teresa
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收藏Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields提高反应力场的准确性,可转移性和效率的最新进展
Leven, Itai; Hao, Hongxia; Tan, Songchen; Guan, Xingyi; Penrod, Katheryn A.; Akbarian, Dooman; Evangelisti, Benjamin; Hossain, Md Jamil; Islam, Md Mahbubul; Koski, Jason P.; Moore, Stan; Aktulga, Hasan Metin; van Duin, Adri C. T.; Head-Gordon, Teresa
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收藏QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte CarloQMCPACK: 辅助场和实空间变分和扩散量子蒙特卡洛的开发,效率和应用进展
Kent, P. R. C.; Annaberdiyev, Abdulgani; Benali, Anouar; Bennett, M. Chandler; Borda, Edgar Josue Landinez; Doak, Peter; Hao, Hongxia; Jordan, Kenneth D.; Krogel, Jaron T.; Kylanpaa, Ilkka; Lee, Joonho; Luo, Ye; Malone, Fionn D.; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Reboredo, Fernando A.; Rubenstein, Brenda; Saritas, Kayahan; Upadhyay, Shiv; Wang, Guangming; Zhang, Shuai; Zhao, Luning
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