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The Journal of Chemical Physics|March 15, 2023
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann methodAbhinav Jha, Michele Nottoli, Aleksandr Mikhalev, et al.
The Journal of Chemical Physics|April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculationsMichele Nottoli, Damiano Castrignano', Patrizia Mazzeo, et al.
Physical Review. E|September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networksPaul Brehmer, Michael F Herbst, Stefan Wessel, et al.
The Journal of Chemical Physics|October 4, 2018
A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-termsBenjamin Stamm, Louis Lagardère, Étienne Polack, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|February 13, 2018
Dynamic simulations of many-body electrostatic self-assemblyEric B Lindgren, Benjamin Stamm, Yvon Maday, et al.
The Journal of Physical Chemistry. B|September 10, 2025
The Accommodation of Excess Charge in Binary Particle Lattices: A Many-Body Electrostatic StudyHolly Avis, Eric B Lindgren, Benjamin Stamm, et al.
The Journal of Physical Chemistry Letters|October 25, 2023
A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born-Oppenheimer Molecular DynamicsFederica Pes, Étienne Polack, Patrizia Mazzeo, et al.
Journal of Colloid and Interface Science|February 28, 2024
The significance of multipole interactions for the stability of regular structures composed from charged particlesEric B Lindgren, Holly Avis, Abigail Miller, et al.
Journal of Chemical Theory and Computation|September 8, 2022
Manipulating Interactions between Dielectric Particles with Electric Fields: A General Electrostatic Many-Body FrameworkMuhammad Hassan, Connor Williamson, Joshua Baptiste, et al.
Journal of Chemical Theory and Computation|January 11, 2017
Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular SimulationsFélix Aviat, Antoine Levitt, Benjamin Stamm, et al.
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