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Journal of Chemical Theory and Computation|October 30, 2015
Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.Journal of Chemical Theory and Computation|November 18, 2015
Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh EwaldLouis Lagardère, Filippo Lipparini, Étienne Polack, et al.The Journal of Physical Chemistry Letters|August 14, 2015
Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum ApproachFilippo Lipparini, Louis Lagardère, Giovanni Scalmani, et al.The Journal of Chemical Physics|November 17, 2014
Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategyFilippo Lipparini, Giovanni Scalmani, Louis Lagardère, et al.Journal of Chemical Theory and Computation|October 31, 2015
Polarizable molecular dynamics in a polarizable continuum solventFilippo Lipparini, Louis Lagardère, Christophe Raynaud, et al.Chemical Science|May 8, 2018
Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fieldsLouis Lagardère, Luc-Henri Jolly, Filippo Lipparini, et al.Pageof 4