Concepedia
Journal of Molecular Liquids · 2009 · 141 citations · 44 references
Inorganic ChemistryChemical EngineeringEngineeringIon ExchangeIon–ion InteractionsIonic ConductorChemistryDeep Eutectic SolventIon Structure
44
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.1K citations
Numerical Analysis, Cartesian Equations, Engineering +11
Issues and challenges facing rechargeable lithium batteries
J. M. Tarascon, Michel Armand · Nature · 2001 · 20.3K citations
Electric Battery, Electrical Engineering, Engineering +6
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.1K citations
Parallel Calculations, Engineering, Detailed Speecup Results +18
Polymorphic transitions in single crystals: A new molecular dynamics method
Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 19.5K citations
A unified formulation of the constant temperature molecular dynamics methods
Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.3K citations · Full text
Engineering, Canonical Distribution, Rigorous Canonical Distribution +18