Lianchi Liu

ReaxFF-<i>l</i>g: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

Lianchi Liu, Yi Liu, Sergey V. Zybin et al. · The Journal of Physical Chemistry A · 2011 · 533 citations

Engineering, Computational Chemistry, Chemistry +16

Mechanism and Kinetics for the Initial Steps of Pyrolysis and Combustion of 1,6-Dicyclopropane-2,4-hexyne from ReaxFF Reactive Dynamics

Lianchi Liu, Chen Bai, Huai Sun et al. · The Journal of Physical Chemistry A · 2011 · 122 citations

Reaxff Reactive Dynamics, Engineering, Combustion Theory +17

Development of a ReaxFF Reactive Force Field for Ettringite and Study of its Mechanical Failure Modes from Reactive Dynamics Simulations

Lianchi Liu, Andrés Jaramillo-Botero, William A. Goddard et al. · The Journal of Physical Chemistry A · 2012 · 106 citations

Engineering, Mechanical Engineering, Reactive Molecular Dynamics +18

Semi-ionic Model for Metal Oxides and Their Interfaces with Organic Molecules

Lifeng Zhao, Lianchi Liu, Huai Sun · The Journal of Physical Chemistry C · 2007 · 83 citations

Materials Science, Organic Molecules, Metal Oxides +14

Molecular Dynamics Simulations of Methanol to Olefin Reactions in HZSM-5 Zeolite Using a ReaxFF Force Field

Chen Bai, Lianchi Liu, Huai Sun · The Journal of Physical Chemistry C · 2012 · 57 citations

Engineering, Methanol, Computational Chemistry +18