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Interpolation for molecular dynamics simulations: from ions in gas phase to proteins in solution Rhee, Young Min; Park, Jae Woo, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.573 - 577, 2016-04 |
Towards the Realization of Ab Initio Dynamics at the Speed of Molecular Mechanics: Simulations with Interpolated Diabatic Hamiltonian Park, Jae Woo; Rhee, Young Min, CHEMPHYSCHEM, v.15, no.15, pp.3183 - 3193, 2014-10 |
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