Thomas A Darden

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.

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations.

Celeste Sagui, Thomas A Darden, T. Darden, 2004, The Journal of chemical physics.

Numerical fitting of molecular properties to Hermite Gaussians.

Jean-Philip Piquemal, Thomas A Darden, G Andrés Cisneros, 2007, The journal of physical chemistry. A.

Quantum mechanics/molecular mechanics electrostatic embedding with continuous and discrete functions.

Jean-Philip Piquemal, Thomas A Darden, G Andrés Cisneros, 2006, The journal of physical chemistry. B.

Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up Strategy.

Nohad Gresh, Jean-Philip Piquemal, Thomas A Darden, 2007, Journal of chemical theory and computation.

Gaussian Multipole Model (GMM).

Jean-Philip Piquemal, Thomas A Darden, G Andrés Cisneros, 2010, Journal of chemical theory and computation.

S/G-1: an ab initio force-field blending frozen Hermite Gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations.

Nohad Gresh, Jean-Philip Piquemal, Louis Lagardère, 2014, The journal of physical chemistry. A.