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The Journal of Chemical Physics|August 22, 2024
Improved memory truncation scheme for quasi-adiabatic propagator path integral via influence functional renormalizationLimin Liu, Jiajun Ren, Weihai FangThe Journal of Physical Chemistry Letters|April 10, 2025
Multiset Variational Quantum Dynamics Algorithm for Simulating Nonadiabatic Dynamics on Quantum ComputersJingjing Li, Weitang Li, Xiaoxiao Xiao, et al.The Journal of Chemical Physics|June 15, 2026
Efficient simulation of non-Markovian path integrals via imaginary time evolution of an effective HamiltonianXiaoyu Yang, Limin Liu, Wencheng Zhao, et al.The Journal of Physical Chemistry. A|February 17, 2011
Ab initio based surface-hopping dynamics study on ultrafast internal conversion in cyclopropanoneGanglong Cui, Weihai FangThe Journal of Chemical Physics|November 18, 2011
Semi-bottom-up coarse graining of water based on microscopic simulationsLianghui Gao, Weihai FangChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 21, 2011
Channels to singlet and triplet phenylcarbenes in phenyldiazomethane: a CASSCF and MRCI studyGanglong Cui, Weihai FangThe Journal of Chemical Physics|January 26, 2010
Communications: Self-energy and corresponding virial contribution of electrostatic interactions in dissipative particle dynamics: Simulations of cationic lipid bilayersLianghui Gao, Weihai FangThe Journal of Physical Chemistry. A|September 21, 2011
Ab initio trajectory surface-hopping study on ultrafast deactivation process of thiopheneGanglong Cui, Weihai FangChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 8, 2011
Mechanistic photodissociation of glycolaldehyde: insights from ab initio and RRKM calculationsGanglong Cui, Weihai FangThe Journal of Physical Chemistry. B|May 12, 2010
Self-assembly of lamellar lipid-DNA complexes simulated by explicit solvent counterion modelLianghui Gao, Jun Cao, Weihai FangPageof 83