Diffusion of Pd clusters on Pd(111) surfaces: a molecular dynamics study

Canonical dynamics: Equilibrium phase-space distributions

William G. Hoover · Physical review. A, General physics · 1985 · 23.3K citations

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A molecular dynamics method for simulations in the canonical ensemble

Shūichi Nosé · Molecular Physics · 1984 · 10.1K citations

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

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Semiempirical, Quantum Mechanical Calculation of Hydrogen Embrittlement in Metals

Murray S. Daw, M. I. Baskes · Physical Review Letters · 1983 · 2.7K citations

Natural Sciences, Materials Engineering, Materials Science +17

Thermodynamical and structural properties of f.c.c. transition metals using a simple tight-binding model

Vittorio Rosato, M. Guillopé, Bernard Legrand · Philosophical Magazine A · 1989 · 1.1K citations

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