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19992023
most citedOn-the-fly machine learning force field generation: Application to melting points

688 citations · 7.1k across the 80 of their papers we have counts for

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cond-mat.mtrl-sci2002★ 39 cited

Dynamic Structure Factor of Liquid and Amorphous Ge From Ab Initio Simulations

Jeng-Da Chai, D. Stroud, J. Hafner +1

We calculate the dynamic structure factor S(k,omega) of liquid Ge (l-Ge) at temperature T = 1250 K, and of amorphous Ge (a-Ge) at T = 300 K, using ab initio molecular dynamics. The…