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The Journal of Physical Chemistry. A|February 23, 2021
Importance of Appropriately Regularizing the ML-MCTDH Equations of MotionHaobin Wang, Hans-Dieter MeyerThe Journal of Chemical Physics|August 3, 2018
On regularizing the ML-MCTDH equations of motionHaobin Wang, Hans-Dieter MeyerEntropy (Basel, Switzerland)|December 8, 2020
Heat Transport in a Spin-Boson Model at Low Temperatures: A Multilayer Multiconfiguration Time-Dependent Hartree StudyChou-Hsun Yang, Haobin WangPhysical Chemistry Chemical Physics : PCCP|January 24, 2014
Slow deactivation channels in UV-photoexcited adenine DNAXuebo Chen, Weihai Fang, Haobin WangThe Journal of Physical Chemistry. A|January 27, 2006
Theoretical study of ultrafast heterogeneous electron transfer reactions at dye-semiconductor interfaces: coumarin 343 at titanium oxideIvan Kondov, Michael Thoss, Haobin WangThe Journal of Chemical Physics|November 17, 2017
Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamicsDezhang Li, Xu Han, Yichen Chai, et al.Journal of Chemical Theory and Computation|June 27, 2025
An Efficient Integrator Scheme for Sampling the (Quantum) Isobaric-Isothermal Ensemble in (Path Integral) Molecular Dynamics SimulationsWeihao Liang, Sihan Wang, Cong Wang, et al.The Journal of Chemical Physics|September 7, 2010
Meir-Wingreen formula for heat transport in a spin-boson nanojunction modelKirill A Velizhanin, Michael Thoss, Haobin WangThe Journal of Organic Chemistry|March 12, 2009
First-principles calculation of pKa values for organic acids in nonaqueous solutionFeizhi Ding, Jeremy M Smith, Haobin WangThe Journal of Chemical Physics|August 17, 2011
Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approachIan R Craig, Michael Thoss, Haobin WangPageof 13