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The Journal of Chemical Physics|June 16, 2012
Density dependence of the entropy and the solvation shell structure in supercritical water via molecular dynamics simulationHaibo Ma
The Journal of Chemical Physics|June 21, 2013
Solvent effect on electronic absorption, fluorescence, and phosphorescence of acetone in water: revisited by quantum mechanics/molecular mechanics (QM/MM) simulationsHaibo Ma, Yingjin Ma
The Journal of Chemical Physics|January 7, 2009
Dynamical simulations of charged soliton transport in conjugated polymers with the inclusion of electron-electron interactionsHaibo Ma, Ulrich Schollwöck
The Journal of Chemical Physics|August 10, 2011
Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: a molecular dynamics studyHaibo Ma, Jing Ma
The Journal of Physical Chemistry Letters|November 9, 2019
Unraveling Correlations between Molecular Properties and Device Parameters of Organic Solar Cells Using Machine LearningHarikrishna Sahu, Haibo Ma
Chemistryopen|December 10, 2016
Opposite Anisotropy Effects of Singlet and Triplet Exciton Diffusion in Tetracene CrystalXiaoyu Xie, Haibo Ma
The Journal of Chemical Physics|June 21, 2013
Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculationsYingjin Ma, Haibo Ma
The Journal of Chemical Physics|October 23, 2025
Efficient evaluation of spin-orbit couplings in single-molecule magnets using DMRG within the DMET frameworkXinyu Sun, Haibo Ma
The Journal of Chemical Physics|December 13, 2012
Solvatochromic shifts of polar and non-polar molecules in ambient and supercritical water: a sequential quantum mechanics/molecular mechanics study including solute-solvent electron exchange-correlationHaibo Ma, Yingjin Ma
Molecules (Basel, Switzerland)|July 2, 2021
Mechanisms of a Cyclobutane-Fused Lactone Hydrolysis in Alkaline and Acidic ConditionsZhangxia Wang, Haibo Ma
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