2 citations · 2 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2021
Predicting polarizabilities of silicon clusters using local chemical environments
Mario G. Zauchner, Stefano Dal Forno, Gábor Cśanyi +2
Calculating polarizabilities of large clusters with first-principles techniques is challenging because of the unfavorable scaling of computational cost with cluster size. To addres…
cond-mat.mes-hall2017★ 2 cited
Efficient electron open boundaries for simulating electrochemical cells
Mario G. Zauchner, Andrew P. Horsfield, Tchavdar N. Todorov
Non-equilibrium electrochemistry raises new challenges for atomistic simulation: we need to perform molecular dynamics for the nuclear degrees of freedom with an explicit descripti…