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

The design space of E(3)-equivariant atom-centred interatomic potentials

E(3)等变原子中心原子间势的设计空间

Batatia, Ilyes; Batzner, Simon; Kovács, Dávid Péter; Musaelian, Albert; Simm, Gregor N C; Drautz, Ralf; Ortner, Christoph; Kozinsky, Boris; Csányi, Gábor

Unified differentiable learning of electric response

统一可微学习电反应

Falletta, Stefano; Cepellotti, Andrea; Johansson, Anders; Tan, Chuin Wei; Descoteaux, Marc L; Musaelian, Albert; Owen, Cameron J; Kozinsky, Boris

Nanoscale wetting controls reactive Pd ensembles in synthesis of dilute PdAu alloy catalysts

纳米尺度润湿控制稀PdAu合金催化剂合成中的活性Pd团簇

Lim, Kang Rui Garrick; Owen, Cameron J; Kaiser, Selina K; Routh, Prahlad K; Mendoza, Montserrat; Park, Kyoo-Chul K; Kim, Taek-Seung; Garg, Sadhya; Gardener, Jules A; Russotto, Lorenzo; O'Connor, Christopher R; Bijl, Marianne; Aizenberg, Michael; Reece, Christian; Lee, Jennifer D; Frenkel, Anatoly I; Kozinsky, Boris; Aizenberg, Joanna

Atomistic simulations of out-of-equilibrium quantum nuclear dynamics

非平衡量子核动力学的原子模拟

Libbi, Francesco; Johansson, Anders; Monacelli, Lorenzo; Kozinsky, Boris

Long-Range Surface Forces in Salt-in-Ionic Liquids

离子液体中盐的长程表面力

Zhang, Xuhui; Goodwin, Zachary A H; Hoane, Alexis G; Deptula, Alex; Markiewitz, Daniel M; Molinari, Nicola; Zheng, Qianlu; Li, Hua; McEldrew, Michael; Kozinsky, Boris; Bazant, Martin Z; Leal, Cecilia; Atkin, Rob; Gewirth, Andrew A; Rutland, Mark W; Espinosa-Marzal, Rosa M

Low-index mesoscopic surface reconstructions of Au surfaces using Bayesian force fields

利用贝叶斯力场对金表面进行低指数介观表面重构

Owen, Cameron J; Xie, Yu; Johansson, Anders; Sun, Lixin; Kozinsky, Boris

Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials

利用机器学习相互作用势在大尺度上精确计算锂金属的表面和有限温度体性质

Phuthi, Mgcini Keith; Yao, Archie Mingze; Batzner, Simon; Musaelian, Albert; Guan, Pinwen; Kozinsky, Boris; Cubuk, Ekin Dogus; Viswanathan, Venkatasubramanian

Flexible fluid-based encapsulation platform for water-sensitive materials

用于水敏材料的柔性流体封装平台

Lemaire, Baptiste; Yu, Yanhao; Molinari, Nicola; Wu, Haichao; Goodwin, Zachary A H; Stricker, Friedrich; Kozinsky, Boris; Aizenberg, Joanna

Advancing the Management of Long COVID by Integrating into Health Informatics Domain: Current and Future Perspectives

通过融入健康信息学领域来推进新冠长期症状的管理:现状与未来展望

Ambalavanan, Radha; Snead, R Sterling; Marczika, Julia; Kozinsky, Karina; Aman, Edris

Active learning of reactive Bayesian force fields applied to heterogeneous catalysis dynamics of H/Pt

主动学习反应贝叶斯力场在H/Pt非均相催化动力学中的应用

Vandermause, Jonathan; Xie, Yu; Lim, Jin Soo; Owen, Cameron J; Kozinsky, Boris