Molecular dynamics study of interfacial mechanical behavior between asphalt binder and mineral aggregate

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

Computing, High-performance Computing, Physics +10

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool

Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering · 2009 · 16.1K citations

Natural Sciences, Chemistry, Visualization +17

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15.3K citations

Natural Sciences, Chemistry, Physics +17

Molecular dynamics simulation for polymers in the presence of a heat bath

Gary S. Grest, Kurt Kremer · Physical review. A, General physics · 1986 · 1.9K citations

Natural Sciences, Chemistry, Physics +17

The colloidal structure of bitumen: Consequences on the rheology and on the mechanisms of bitumen modification

Didier Lesueur · Advances in Colloid and Interface Science · 2008 · 1.6K citations

Engineering, Materials Engineering, Materials Science +14