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cond-mat.mtrl-sci2014★ 24 cited
Rigorous Error Bounds for Ewald Summation of Electrostatics at Planar Interfaces
Cong Pan, Zhonghan Hu
We present a rigorous Ewald summation formula to evaluate the electrostatic interactions in two-dimensionally periodic planar interfaces of three-dimensional systems. By rewriting…
cond-mat.mtrl-sci2010
Acetonitrile on silica surfaces and at its liquid-vapor interface: structural correlations and collective dynamics
Zhonghan Hu, John D. Weeks
Solvent structure and dynamics of acetonitrile at its liquid-vapor (LV) interface and at the acetonitrile-silica (LS) interface are studied by means of molecular dynamics simulatio…