The role of non-deformable units in pressure-induced reversible amorphization of clathrasils

Polymorphic transitions in single crystals: A new molecular dynamics method

Michele Parrinello, A. Rahman · Journal of Applied Physics · 1981 · 19.5K citations

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

Constant pressure molecular dynamics for molecular systems

Shūichi Nosé, Michael L. Klein · Molecular Physics · 1983 · 3.3K citations

Engineering, Physics, Solid Nitrogen +13

Force fields for silicas and aluminophosphates based on<i>ab initio</i>calculations

B. W. H. van Beest, G. J. Kramer, Rutger A. van Santen · Physical Review Letters · 1990 · 1.5K citations · Full text

Materials Science, Cluster Science, Engineering +14

‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids

Osamu Mishima, L. D. Calvert, E. Whalley · Nature · 1984 · 1.3K citations

Materials Science, Engineering, Applied Physics +8