Junjie Yang

Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions

Xiaoliang Pan, Junjie Yang, Richard Van et al. · Journal of Chemical Theory and Computation · 2021 · 109 citations · Full text

Natural Sciences, Chemistry, Biocatalysis +16

<scp>Block2</scp>: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond

Huanchen Zhai, Henrik R. Larsson, Seunghoon Lee et al. · The Journal of Chemical Physics · 2023 · 105 citations · Full text

Natural Sciences, Chemistry, Physics +17

Elucidating the Electronic Structure of a Delayed Fluorescence Emitter via Orbital Interactions, Excitation Energy Components, Charge-Transfer Numbers, and Vibrational Reorganization Energies

Zheng Pei, Qi Ou, Yuezhi Mao et al. · The Journal of Physical Chemistry Letters · 2021 · 70 citations · Full text

Natural Sciences, Chemistry, Physics +17

A physics based model for the RTD quantum capacitance

Roger K. Lake, Junjie Yang · IEEE Transactions on Electron Devices · 2003 · 47 citations

Engineering, Electrical Engineering, Physics +17

Cavity quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis. II. Analytic energy gradient

Junjie Yang, Zheng Pei, Erick Calderon Leon et al. · The Journal of Chemical Physics · 2022 · 31 citations · Full text

Natural Sciences, Chemistry, Physics +14