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

Correction: Atomate2: modular workflows for materials science

更正:Atomate2:材料科学的模块化工作流程

Ganose, Alex M; Sahasrabuddhe, Hrushikesh; Asta, Mark; Beck, Kevin; Biswas, Tathagata; Bonkowski, Alexander; Bustamante, Joana; Chen, Xin; Chiang, Yuan; Chrzan, Daryl C; Clary, Jacob; Cohen, Orion A; Ertural, Christina; Gallant, Max C; George, Janine; Gerits, Sophie; Goodall, Rhys E A; Guha, Rishabh D; Hautier, Geoffroy; Horton, Matthew; Inizan, T J; Kaplan, Aaron D; Kingsbury, Ryan S; Kuner, Matthew C; Li, Bryant; Linn, Xavier; McDermott, Matthew J; Mohanakrishnan, Rohith Srinivaas; Naik, Aakash A; Neaton, Jeffrey B; Parmar, Shehan M; Persson, Kristin A; Petretto, Guido; Purcell, Thomas A R; Ricci, Francesco; Rich, Benjamin; Riebesell, Janosh; Rignanese, Gian-Marco; Rosen, Andrew S; Scheffler, Matthias; Schmidt, Jonathan; Shen, Jimmy-Xuan; Sobolev, Andrei; Sundararaman, Ravishankar; Tezak, Cooper; Trinquet, Victor; Varley, Joel B; Vigil-Fowler, Derek; Wang, Duo; Waroquiers, David; Wen, Mingjian; Yang, Han; Zheng, Hui; Zheng, Jiongzhi; Zhu, Zhuoying; Jain, Anubhav

Insights into Electrochemical CO(2) Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy

利用巨正则系综密度泛函理论和原位ATR-SEIRA光谱研究金属锡和氧化锡上电化学CO(2)还原反应

Whittaker, Todd N; Fishler, Yuval; Clary, Jacob M; Brimley, Paige; Holewinski, Adam; Musgrave, Charles B; Farberow, Carrie A; Smith, Wilson A; Vigil-Fowler, Derek

Activating Nitrogen for Electrochemical Ammonia Synthesis via an Electrified Transition-Metal Dichalcogenide Catalyst

利用带电过渡金属二硫化物催化剂活化氮用于电化学合成氨

Aubry, Taylor J; Clary, Jacob M; Miller, Elisa M; Vigil-Fowler, Derek; van de Lagemaat, Jao

Improving the Accuracy of Atomistic Simulations of the Electrochemical Interface

提高电化学界面原子模拟的精度

Sundararaman, Ravishankar; Vigil-Fowler, Derek; Schwarz, Kathleen

Ab initio study of hot electrons in GaAs

GaAs中热电子的第一性原理研究

Bernardi, Marco; Vigil-Fowler, Derek; Ong, Chin Shen; Neaton, Jeffrey B; Louie, Steven G