| scholarly article | Q13442814 |
| P818 | arXiv ID | 1802.10413 |
| P356 | DOI | 10.1039/C6CP07489H |
| P698 | PubMed publication ID | 28128821 |
| P50 | author | Christian Krekeler | Q89929662 |
| P2093 | author name string | Luigi Delle Site | |
| P2860 | cites work | GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation | Q27860944 |
| Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. | Q30374901 | ||
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| Force fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments | Q37985672 | ||
| Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion | Q38423713 | ||
| Coupling different levels of resolution in molecular simulations | Q43121037 | ||
| Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk | Q43166584 | ||
| Dynamics of imidazolium ionic liquids from a combined dielectric relaxation and optical Kerr effect study: evidence for mesoscopic aggregation. | Q45931537 | ||
| Chemical potential of liquids and mixtures via adaptive resolution simulation | Q46862721 | ||
| Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly. | Q46866226 | ||
| Locality and Fluctuations: Trends in Imidazolium-Based Ionic Liquids and Beyond. | Q50063455 | ||
| Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulations. | Q50072442 | ||
| Adaptive molecular resolution approach in Hamiltonian form: An asymptotic analysis. | Q50548895 | ||
| Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique. | Q50583541 | ||
| Understanding ionic liquids at the molecular level: facts, problems, and controversies. | Q50658239 | ||
| Formulation of Liouville's theorem for grand ensemble molecular simulations. | Q50690495 | ||
| Adaptive resolution simulation of a DNA molecule in salt solution. | Q50772499 | ||
| Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water. | Q50858875 | ||
| Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. | Q51425956 | ||
| A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site. | Q51434391 | ||
| Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling. | Q51584702 | ||
| Classical to path-integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling. | Q51656192 | ||
| Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. | Q51659511 | ||
| Some fundamental problems for an energy-conserving adaptive-resolution molecular dynamics scheme. | Q51901330 | ||
| Deriving effective mesoscale potentials from atomistic simulations. | Q52010759 | ||
| Hamiltonian adaptive resolution simulation for molecular liquids. | Q52639398 | ||
| Adaptive resolution simulation of polarizable supramolecular coarse-grained water models | Q57368936 | ||
| A unified framework for force-based and energy-based adaptive resolution simulations | Q57371145 | ||
| Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids | Q57547157 | ||
| Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study | Q57547164 | ||
| Molecular dynamics with coupling to an external bath | Q57569060 | ||
| Adaptive resolution simulation of salt solutions | Q59223088 | ||
| Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir | Q59223090 | ||
| Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS | Q59223092 | ||
| Communication: On the locality of Hydrogen bond networks at hydrophobic interfaces | Q59223099 | ||
| P433 | issue | 6 | |
| P407 | language of work or name | English | Q1860 |
| P1104 | number of pages | 9 | |
| P304 | page(s) | 4701-4709 | |
| P577 | publication date | 2017-02-01 | |
| P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
| P1476 | title | Towards open boundary molecular dynamics simulation of ionic liquids | |
| P478 | volume | 19 |
| Q52588423 | Communication: Adaptive boundaries in multiscale simulations. |
| Q53411992 | Open-Boundary Molecular Dynamics of a DNA Molecule in a Hybrid Explicit/Implicit Salt Solution. |
| Q47853896 | 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 |
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