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math.AP2009
Minimizing atomic configurations of short range pair potentials in two dimensions: crystallization in the Wulff shape
Yuen Au Yeung, Gero Friesecke, Bernd Schmidt
We investigate ground state configurations of atomic systems in two dimensions interacting via short range pair potentials. As the number of particles tends to infinity, we show th…
math.AP2009
Passage from quantum to classical molecular dynamics in the presence of Coulomb interactions
Luigi Ambrosio, Gero Friesecke, Jannis Giannoulis
We present a rigorous derivation of classical molecular dynamics (MD) from quantum molecular dynamics (QMD) that applies to the standard Hamiltonians of molecular physics with Coul…