Robert E Duke

Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatility.

Terry P Lybrand, David S Cerutti, Robert E Duke, 2009, Journal of chemical theory and computation.

Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations

Robert E Duke, Eric G. Kratz, G Andrés Cisneros, 2016, Theoretical Chemistry Accounts.

GEM*: A Molecular Electronic Density-Based Force Field for Molecular Dynamics Simulations.

Jean-Philip Piquemal, Robert E Duke, G Andrés Cisneros, 2014, Journal of chemical theory and computation.