Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS

scientific article published on 03 February 2012

Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/CT200706F
P698PubMed publication ID26596591

P50authorKurt KremerQ20748655
Christoph JunghansQ50042017
P2093author name stringSebastian Fritsch
P433issue2
P921main subjecttolueneQ15779
GROMACSQ905302
P6104maintained by WikiProjectWikiProject SoftwareQ15659621
P304page(s)398-403
P577publication date2012-02-03
P1433published inJournal of Chemical Theory and ComputationQ1768377
P1476titleStructure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS
P478volume8

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cites work (P2860)
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Q50532246Adaptive resolution simulation of oligonucleotides.
Q57547140Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations
Q57372065Computer Simulations of Soft Matter: Linking the Scales
Q47242852From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics
Q36910973HBP Builder: A Tool to Generate Hyperbranched Polymers and Hyperbranched Multi-Arm Copolymers for Coarse-grained and Fully Atomistic Molecular Simulations
Q52639398Hamiltonian adaptive resolution simulation for molecular liquids.
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Q57547145Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in 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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