Department of Chemistry, Chicago Center for Theoretical Chemistry, University of Chicago, Chicago, Illinois 60637, United States ...

Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China ...

Erratum: "From hard spheres and cubes to nonequilibrium maps with thirty-some years of thermostatted molecular dynamics" [J. Chem. Phys. 153, 070901 (2020)].

光电材料与器件通过光电转换实现光能、电能相互转化，是现代电子与能源技术的核心。主要包括太阳能电池材料、半导体光电材料、有机发光材料等。计算模拟在光电材料的设计与优化中扮演着关键角色，可以在原子分子尺度上揭示光吸收、激发态动力学 ...