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20222024
most citedThe energy, temperature, and heat capacity in discrete classical dynamics

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cond-mat.stat-mech2024

Discrete Newtonian dynamics with Nosé-Hoover thermostats

Søren Toxvaerd

Almost all Molecular Dynamics (MD) simulations are discrete dynamics with Newton's algorithm first published in 1687, and much later by L. Verlet in 1967. Discrete Newtonian dynami…