239 citations · 470 across the 9 of their papers we have counts for
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physics.chem-ph2019★ 20 cited
Inertial Extended-Lagrangian Scheme for Solving Charge Equilibration Models
Itai Leven, Teresa Head-Gordon
The inertial extended Lagrangian/self-consistent field scheme (iEL-SCF) has been adopted for solving charge equilibration in LAMMPS as part of the reactive force field ReaxFF, whic…
physics.chem-ph2019★ 1 cited
Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis
A. K. Das, L. Urban, I. Leven +4
Given the piecewise approach to modeling intermolecular interactions for force fields, they can be difficult to parameterize since they are fit to data like total energies that onl…