On a novel Monte Carlo scheme for simulating water and aqueous solutions

Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

Computing, Computer Engineering, Computer Science +9

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

Improved simulation of liquid water by molecular dynamics

Frank H. Stillinger, Aneesur Rahman · The Journal of Chemical Physics · 1974 · 1.7K citations

Natural Sciences, Chemistry, Physics +17

Monte Carlo simulation of a many-fermion study

David M. Ceperley, G. V. Chester, M. H. Kalos · Physical review. B, Solid state · 1977 · 775 citations

Natural Sciences, Physics, Computational Physics +10

Monte Carlo studies of liquid water

R.O. Watts · Molecular Physics · 1974 · 170 citations

Natural Sciences, Chemistry, Biomolecular Modeling +14