Call for PapersVirtual Special Issue: Methods, Algorithms, Codes, and Software for Theoretical and Computational Chemistry | Theoretical and computational chemistry has made a significant impact on many fields of chemistry, physics, biology, and materials science. Thanks to tremendous advances in different levels of theories, algorithms and their efficient implementations, chemists can now use a diverse arsenal of software to solve various problems. |
This Virtual Special Topic in Chinese Journal of Chemical Physics dedicated to the 15th National Congress of Theoretical and Computational Chemistry (NCTCC), will focus on the latest development of theories, algorithms, codes and software in all aspects of theoretical and computational chemistry. | Topics covered include, but are not limited to: | |  | Electronic structure theory | | | | Gas phase dynamics and molecular spectroscopy | | | | Quantum and classical dynamics of condensed phase systems | | | | Excited states and nonadiabatic processes | | | | | Surfaces, interfaces, catalysis and materials | | | | Simulations of biomolecules, polymers, and other complex systems | | | | Ganglong Cui, Beijing Normal University |
Igor Ying Zhang, Fudan University |
Bin Jiang, University of Science and Technology of China |
Hujun Qian, Jilin University |
Submission Deadline: August 31, 2025 | | | | |
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