论文成果
- Recent progress for density functional theory calculations towards reactions at solid-liquid interface.-ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY-2014-01-01-248
- Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation (DFT/CM-MPB) method.-ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY-2014-01-01-248
- First Principles Electrocatalytic Reactions: From Tafel Kinetics to Automated Reaction Prediction.-中国化学会第十二届全国量子化学会议论文摘要集-2014-01-01
- Application of Stochastic Surface Walking for Structure Determination and Pathway Searching.-第九届计算纳米科学与新能源材料国际研讨会论文摘要集-2016-01-01
- 大规模原子模拟软件包(LSASP)程序设计和进展.-中国科学基金-2018-01-01-32
- New Insights into the Ion-Specific Behaviors and Design Strategies for Ion-pi Interactions.-CCS Chemistry-2021-01-01-3
- The nature of active sites for carbon dioxide electroreduction over oxide-derived copper catalysts.-Nature Communications-2021-01-01-12
- Reaction prediction via atomistic simulation: from quantum mechanics to machine learning.-iScience-2021-01-01-24
