most citedApplicability of Kerker preconditioning scheme to the self-consistent density functional theory calculations of inhomogeneous systems

23 citations · 89 across the 7 of their papers we have counts for

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cond-mat.stat-mech2016★ 23 cited

Sampling the isothermal-isobaric ensemble by Langevin dynamics

Xingyu Gao, Jun Fang, Han Wang

We present a new method of conducting molecular dynamics simulation in isothermal-isobaric ensemble based on Langevin equations of motion. The stochastic coupling to all particle a…