An empirical extrapolation scheme for efficient treatment of induced dipoles.
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Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.Fast divide-and-conquer algorithm for evaluating polarization in classical force fields.Mapping the Drude polarizable force field onto a multipole and induced dipole model.The truncated conjugate gradient (TCG), a non-iterative/fixed-cost strategy for computing polarization in molecular dynamics: Fast evaluation of analytical forces.
P2860
An empirical extrapolation scheme for efficient treatment of induced dipoles.
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name
An empirical extrapolation scheme for efficient treatment of induced dipoles.
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An empirical extrapolation scheme for efficient treatment of induced dipoles.
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type
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An empirical extrapolation scheme for efficient treatment of induced dipoles.
@en
An empirical extrapolation scheme for efficient treatment of induced dipoles.
@nl
prefLabel
An empirical extrapolation scheme for efficient treatment of induced dipoles.
@en
An empirical extrapolation scheme for efficient treatment of induced dipoles.
@nl
P2860
P356
P1476
An empirical extrapolation scheme for efficient treatment of induced dipoles
@en
P2093
Bernard R Brooks
Jay W Ponder
P2860
P304
P356
10.1063/1.4964866
P407
P577
2016-10-01T00:00:00Z