The role of atomistic simulations in probing the small-scale aspects of fracture—a case study on a single-walled carbon nanotube

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

Natural Sciences, Biochemistry, Biophysics +5

Canonical dynamics: Equilibrium phase-space distributions

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

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Introduction to Solid State Physics

C. Kittel, Heng Fan · American Journal of Physics · 1957 · 22.4K citations

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Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

Natural Sciences, Computer Science, Physics +12

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

Natural Sciences, Materials Science, Physics +15