Chang Liu

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 12

Top Topics

Electron Transfer

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Inorganic chemistry

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

Publications

Weiqiang Fu, Yujie Mo, Yi Xiao, Chang Liu, Feng Zhou, Yang Wang, Jielong Zhou, Yingsheng John Zhang
Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential. Journal of chemical theory and computation (2024)
Chang Liu, Néstor F Aguirre, Marc J Cawkwell, Enrique R Batista, Ping Yang
Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th-O Case Study. Journal of chemical theory and computation (2024)
Chang Liu, Néstor F Aguirre, Marc J Cawkwell, Enrique R Batista, Ping Yang
Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th-O Case Study. Journal of chemical theory and computation 20 (14) (2024)
Chang Liu, Néstor F Aguirre, Marc J Cawkwell, Enrique R Batista, Ping Yang
Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th-O Case Study. Journal of chemical theory and computation 20 (14) (2024)
Chang Liu, Néstor F Aguirre, Marc J Cawkwell, Enrique R Batista, Ping Yang
Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th-O Case Study. Journal of chemical theory and computation 20 (14) (2024)
Weiqiang Fu, Yujie Mo, Yi Xiao, Chang Liu, Feng Zhou, Yang Wang, Jielong Zhou, Yingsheng John Zhang
Enhancing Molecular Energy Predictions with Physically Constrained Modifications to the Neural Network Potential. Journal of chemical theory and computation 20 (11) (2024)
Richard Drew Marshburn, Daniel C Ashley, Gregory M Curtin, Nadia Sultana, Chang Liu, Nelson R Vinueza, Elon A Ison, Elena Jakubikova
Are all charge-transfer parameters created equally? A study of functional dependence and excited-state charge-transfer quantification across two dye families. Physical chemistry chemical physics : PCCP 23 (36) (2021)
Chang Liu, Enrique R Batista, Néstor F Aguirre, Ping Yang, Marc J Cawkwell, Elena Jakubikova
SCC-DFTB Parameters for Fe-C Interactions. The journal of physical chemistry. A 124 (46) (2020)
Chang Liu, C T Kelley, Elena Jakubikova
Molecular Dynamics Simulations on Relaxed Reduced-Dimensional Potential Energy Surfaces. The journal of physical chemistry. A 123 (21) (2019)
Zachary Morrow, Chang Liu, C T Kelley, Elena Jakubikova
Approximating Periodic Potential Energy Surfaces with Sparse Trigonometric Interpolation. The journal of physical chemistry. B 123 (45) (2019)
Alexander Britz, Wojciech Gawelda, Tadesse A Assefa, Lindsey L Jamula, Jonathan T Yarranton, Andreas Galler, Dmitry Khakhulin, Michael Diez, Manuel Harder, Gilles Doumy, Anne Marie March, Éva Bajnóczi, Zoltán Németh, Mátyás Pápai, Emese Rozsályi, Dorottya Sárosiné Szemes, Hana Cho, Sriparna Mukherjee, Chang Liu, Tae Kyu Kim, Robert W Schoenlein, Stephen H Southworth, Linda Young, Elena Jakubikova, Nils Huse, György Vankó, Christian Bressler, James K McCusker
Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)2]2. Inorganic chemistry 58 (14) (2019)
Chang Liu, Elena Jakubikova
Two-step model for ultrafast interfacial electron transfer: limitations of Fermi's golden rule revealed by quantum dynamics simulations. Chemical science 8 (9) (2017)