Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme.

scientific article published on 15 October 2007

Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme. is …
instance of (P31):
scholarly articleQ13442814

External links are
P819ADS bibcode2007PhRvE..76d7701D
P818arXiv ID0709.2579
P356DOI10.1103/PHYSREVE.76.047701
P698PubMed publication ID17995141

P2093author name stringLuigi Delle Site
P2860cites workAdaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly.Q46866226
Energy Conservation in Adaptive Hybrid Atomistic/Coarse-Grain Molecular Dynamics.Q51916177
Adaptive molecular resolution via a continuous change of the phase space dimensionality.Q51920201
Adaptive partitioning in combined quantum mechanical and molecular mechanical calculations of potential energy functions for multiscale simulations.Q51922686
"Learn on the fly": a hybrid classical and quantum-mechanical molecular dynamics simulation.Q53778323
First principles assessment of ideal fracture energies of materials with mobile impurities: implications for hydrogen embrittlement of metalsQ58445890
P433issue4 Pt 2
P407language of work or nameEnglishQ1860
P304page(s)047701
P577publication date2007-10-15
P1433published inPhysical Review EQ2128181
P1476titleSome fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme.
P478volume76

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cites work (P2860)
Q57372301A Review of Multiscale Computational Methods in Polymeric Materials
Q51434391A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.
Q50548895Adaptive molecular resolution approach in Hamiltonian form: An asymptotic analysis.
Q51584702Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling.
Q57547140Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
Q42921248An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions
Q51656192Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling.
Q52588423Communication: Adaptive boundaries in multiscale simulations.
Q57372065Computer Simulations of Soft Matter: Linking the Scales
Q43121037Coupling different levels of resolution in molecular simulations
Q44602769Energy extrapolation schemes for adaptive multi-scale molecular dynamics simulations
Q50690495Formulation of Liouville's theorem for grand ensemble molecular simulations.
Q47242852From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics
Q52639398Hamiltonian adaptive resolution simulation for molecular liquids.
Q50858875Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.
Q57547164Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study
Q57547148Statistical mechanics of Hamiltonian adaptive resolution simulations
Q57368955The relative entropy is fundamental to adaptive resolution simulations
Q47994097Towards open boundary molecular dynamics simulation of ionic liquids.
Q48058592Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues

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