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

Machine learning for nonadiabatic molecular dynamics: best practices and recent progress

非绝热分子动力学的机器学习:最佳实践和最新进展

Müller, Carolin; Sršeň, Štěpán; Bachmair, Brigitta; Crespo-Otero, Rachel; Li, Jingbai; Mausenberger, Sascha; Pinheiro, Max Jr; Worth, Graham; Lopez, Steven A; Westermayr, Julia

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

MLatom 3:一个用于机器学习增强型计算化学模拟和工作流程的平台

Dral, Pavlo O; Ge, Fuchun; Hou, Yi-Fan; Zheng, Peikun; Chen, Yuxinxin; Barbatti, Mario; Isayev, Olexandr; Wang, Cheng; Xue, Bao-Xin; Pinheiro, Max Jr; Su, Yuming; Dai, Yiheng; Chen, Yangtao; Zhang, Lina; Zhang, Shuang; Ullah, Arif; Zhang, Quanhao; Ou, Yanchi

Molecular, Cellular, and Developmental Organization of the Mouse Vomeronasal organ at Single Cell Resolution

小鼠犁鼻器的分子、细胞和发育组织结构(单细胞分辨率)

Hills, Max Jr; Ma, Limei; Fang, Ai; Chiremba, Thelma; Malloy, Seth; Scott, Allison; Perera, Anoja; Yu, C Ron

Care-based community communication, capacity, and agency during the COVID-19 pandemic: Evidence from the Complexo da Maré Favela, Brazil

新冠疫情期间以关怀为基础的社区沟通、能力和自主性:来自巴西马雷贫民窟的证据

Poets, Desiree; Grimes, Catherine; Stephenson, Max Jr; Moayerian, Neda; Todd, Molly

Exploring Syrian Refugees' Access to Medical and Social Support Services Using a Trauma-Informed Analytic Framework

运用创伤知情分析框架探讨叙利亚难民获得医疗和社会支持服务的途径

Moayerian, Neda; Stephenson, Max Jr; Abu Karaki, Muddather; Abbadi, Renad

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

Newton-X平台:用于表面跳跃和核系综的新软件开发

Barbatti, Mario; Bondanza, Mattia; Crespo-Otero, Rachel; Demoulin, Baptiste; Dral, Pavlo O; Granucci, Giovanni; Kossoski, Fábris; Lischka, Hans; Mennucci, Benedetta; Mukherjee, Saikat; Pederzoli, Marek; Persico, Maurizio; Pinheiro, Max Jr; Pittner, Jiří; Plasser, Felix; Sangiogo Gil, Eduarda; Stojanovic, Ljiljana

Correction: Modeling the heating and cooling of a chromophore after photoexcitation

更正:模拟光激发后生色团的加热和冷却

Ventura, Elizete; do Monte, Silmar Andrade; do Casal, Mariana T; Pinheiro, Max Jr; Toldo, Josene Maria; Barbatti, Mario

Fewest switches surface hopping with Baeck-An couplings

最少开关表面跳跃具有 Baeck-An 耦合

T do Casal, Mariana; Toldo, Josene M; Pinheiro, Max Jr; Barbatti, Mario