Adam Grofe

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 7

Top Topics

Minimally Invasive

Density Functional Theory

Metal Organic Framework

Energy Transfer

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Inorganic chemistry

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Jan P Unsleber, Hongbin Liu, Leopold Talirz, Thomas Weymuth, Maximilian Mörchen, Adam Grofe, Dave Wecker, Christopher J Stein, Ajay Panyala, Bo Peng, Karol Kowalski, Matthias Troyer, Markus Reiher
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. The Journal of chemical physics 158 (8) (2023)
Adam Grofe, Xiaosong Li
Relativistic nonorthogonal configuration interaction: application to L 2,3 -edge X-ray spectroscopy. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Yang Cong, Yu Zhai, Jitai Yang, Adam Grofe, Jiali Gao, Hui Li
Quantum vibration perturbation approach with polyatomic probe in simulating infrared spectra. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Jingting Han, Adam Grofe, Jiali Gao
Variational Energy Decomposition Analysis of Charge-Transfer Interactions between Metals and Ligands in Carbonyl Complexes. Inorganic chemistry 60 (18) (2021)
Ruoqi Zhao, Adam Grofe, Zikuan Wang, Peng Bao, Xin Chen, Wenjian Liu, Jiali Gao
Dynamic-then-Static Approach for Core Excitations of Open-Shell Molecules. The journal of physical chemistry letters 12 (31) (2021)
Adam Grofe, Ruoqi Zhao, Andrew Wildman, Torin F Stetina, Xiaosong Li, Peng Bao, Jiali Gao
Generalization of Block-Localized Wave Function for Constrained Optimization of Excited Determinants. Journal of chemical theory and computation 17 (1) (2020)
Meiyi Liu, Xin Chen, Adam Grofe, Jiali Gao
Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition. The journal of physical chemistry letters 9 (20) (2018)