2 citations · 2 across the 3 of their papers we have counts for
3 papers
Accelerating GW calculations through machine learned dielectric matrices
Mario G. Zauchner, Andrew Horsfield, Johannes Lischner
The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficu…
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…
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…