Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme.
about
An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions.Coupling different levels of resolution in molecular simulations.Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulations.From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.Towards open boundary molecular dynamics simulation of ionic liquids.Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.Adaptive molecular resolution approach in Hamiltonian form: An asymptotic analysis.Formulation of Liouville's theorem for grand ensemble molecular simulations.Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling.Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling.Communication: Adaptive boundaries in multiscale simulations.Hamiltonian adaptive resolution simulation for molecular liquids.The relative entropy is fundamental to adaptive resolution simulationsComputer Simulations of Soft Matter: Linking the ScalesA Review of Multiscale Computational Methods in Polymeric MaterialsAdvantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulationsStatistical mechanics of Hamiltonian adaptive resolution simulationsQuantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study
P2860
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P2860
Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme.
description
2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
@wuu
2007年学术文章
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2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
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2007年學術文章
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name
Some fundamental problems for ...... ion molecular dynamics scheme.
@en
Some fundamental problems for ...... ion molecular dynamics scheme.
@nl
type
label
Some fundamental problems for ...... ion molecular dynamics scheme.
@en
Some fundamental problems for ...... ion molecular dynamics scheme.
@nl
prefLabel
Some fundamental problems for ...... ion molecular dynamics scheme.
@en
Some fundamental problems for ...... ion molecular dynamics scheme.
@nl
P2860
P1433
P1476
Some fundamental problems for ...... ion molecular dynamics scheme.
@en
P2093
Luigi Delle Site
P2860
P304
P356
10.1103/PHYSREVE.76.047701
P407
P433
P577
2007-10-15T00:00:00Z