A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy-apatite

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 22.7K citations

Engineering, Molecular Thermodynamics, Physics +13

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

Dynamical Theory of Crystal Lattices

Max Born, Kun Huang, M. Lax · American Journal of Physics · 1955 · 10.5K citations

Quantum Lattice System, Engineering, Lattice (Order) +5

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

Loup Verlet · Physical Review · 1967 · 9.2K citations · Full text

Engineering, Lennard-jones Potential, Fluid Mechanics +21

Theory of the Dielectric Constants of Alkali Halide Crystals

B. G. Dick, A. W. Overhauser · Physical Review · 1958 · 2.4K citations

Crystal Structure, Engineering, Electronic Structure +19