Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations

Washington, DC (2017) [Journal Article]

Journal of chemical theory and computation
Volume: 13
Issue: 1
Page(s): 180-190


Selected Authors

Aviat, Félix
Levitt, Antoine
Stamm, Benjamin
Maday, Yvon
Ren, Pengyu

Other Authors

Ponder, Jay W.
Lagardère, Louis
Piquemal, Jean-Philip