Concepedia
Chemical Physics Letters · 2019 · 27 citations · 19 references
Natural SciencesMaterials SciencePhysicsComputational ChemistryPhysical ChemistrySolid State PhysicsEquations Of StateMolecular DynamicsPhase DiagramsPhase TransitionsMolten Salt StorageSalt Effects On Phase FormationSalt Phase Transitions
19
Unified Approach for Molecular Dynamics and Density-Functional Theory
Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text
Natural Sciences, Materials Science, Physics +15
P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations
Ricardo Andrade, Ernesto G. Birgin, J. M. Martı́nez · Journal of Computational Chemistry · 2009 · 9.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
First-principles molecular dynamics modeling of the LiCl–KCl molten salt system
Amelia Bengtson, Hyo On Nam, Saumitra Saha et al. · Computational Materials Science · 2013 · 127 citations
Natural Sciences, Chemistry, Materials Science +12
Molecular dynamics simulation of the structure and properties for the CaO–SiO2 and CaO–Al2O3 systems
Ting Wu, Shengping He, Yijie Liang et al. · Journal of Non-Crystalline Solids · 2015 · 105 citations
Natural Sciences, Chemistry, Physics +15
Data mining and machine learning for identifying sweet spots in shale reservoirs
Pejman Tahmasebi, Farzam Javadpour, Muhammad Sahimi · Expert Systems with Applications · 2017 · 101 citations
Engineering, Geological Engineering, Petroleum Engineering +17