Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion.
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Computational electrochemistry: prediction of liquid-phase reduction potentials.Chemical potential of liquids and mixtures via adaptive resolution simulation.Path integral-GC-AdResS simulation of a large hydrophobic solute in water: a tool to investigate the interplay between local microscopic structures and quantum delocalization of atoms in space.Towards open boundary molecular dynamics simulation of ionic liquids.Thermodynamics of adaptive molecular resolution.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.Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique.Multiscale simulations for understanding the evolution and mechanism of hierarchical peptide self-assembly.Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.On the representability problem and the physical meaning of coarse-grained models.A density-based adaptive quantum mechanical/molecular mechanical method.The relative entropy is fundamental to adaptive resolution simulationsReply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
P2860
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P2860
Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion.
description
2012 nî lūn-bûn
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年论文
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2012年论文
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2012年论文
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name
Adaptive Resolution Simulation ...... in a Grand Canonical Fashion.
@en
type
label
Adaptive Resolution Simulation ...... in a Grand Canonical Fashion.
@en
prefLabel
Adaptive Resolution Simulation ...... in a Grand Canonical Fashion.
@en
P356
P1476
Adaptive Resolution Simulation ...... in a Grand Canonical Fashion.
@en
P2093
Christof Schütte
Luigi Delle Site
P304
P356
10.1021/CT3003354
P50
P577
2012-07-24T00:00:00Z