Computer simulation of liquid crystals

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 · 21.5K citations

Natural Sciences, Chemistry, Physics +11

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

THE EFFECTS OF SHAPE ON THE INTERACTION OF COLLOIDAL PARTICLES

Lars Onsager · Annals of the New York Academy of Sciences · 1949 · 4.9K citations

Engineering, Physics, Colloid Science +9

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

Hans Christian Andersen · Journal of Computational Physics · 1983 · 3.1K citations

Natural Sciences, Chemistry, Physics +12

Phase behaviour of concentrated suspensions of nearly hard colloidal spheres

P. N. Pusey, W. van Megen · Nature · 1986 · 2.2K citations

Engineering, Chemistry, Colloid Science +15