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Scalable Evaluation of Polarization Energy and Associated Forces in Polarizable Molecular Dynamics: II.Towards Massively Parallel Computations using Smooth Particle Mesh Ewald.Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.Meshing molecular surfaces based on analytical implicit representation.Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives.Scalable evaluation of polarization energy and associated forces in polarizable molecular dynamics: II. Toward massively parallel computations using smooth particle mesh Ewald.Polarizable molecular dynamics in a polarizable continuum solventDomain decomposition for implicit solvation models.Computation of forces arising from the polarizable continuum model within the domain-decomposition paradigm.Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding.A new discretization for the polarizable continuum model within the domain decomposition paradigm.Quantum, classical, and hybrid QM/MM calculations in solution: general implementation of the ddCOSMO linear scaling strategy.Quantum Calculations in Solution for Large to Very Large Molecules: A New Linear Scaling QM/Continuum Approach.Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.Interior Penalty Continuous and Discontinuous Finite Element Approximations of Hyperbolic EquationsHow to make continuum solvation incredibly fast in a few simple steps: A practical guide to the domain decomposition paradigm for the conductor-like screening modelTheoretical analysis of screened many-body electrostatic interactions between charged polarizable particles
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P50
description
hulumtues
@sq
researcher
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wetenschapper
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հետազոտող
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name
Benjamin Stamm
@ast
Benjamin Stamm
@en
Benjamin Stamm
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Benjamin Stamm
@nl
Benjamin Stamm
@sl
type
label
Benjamin Stamm
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Benjamin Stamm
@en
Benjamin Stamm
@es
Benjamin Stamm
@nl
Benjamin Stamm
@sl
prefLabel
Benjamin Stamm
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Benjamin Stamm
@en
Benjamin Stamm
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Benjamin Stamm
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Benjamin Stamm
@sl
P106
P1153
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P1556
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P21
P2456
P31
P4450
P496
0000-0003-3375-483X