1 citations · 1 across the 3 of their papers we have counts for
3 papers
On-the-fly reparametrization of pairwise dispersion interactions for accurate and efficient molecular dynamics: Phase diagram of white phosphorus
Heikki Muhli, Tapio Ala-Nissila, Miguel A. Caro
Accurate estimation of the contribution from dispersion interactions to the total energy is important for many molecular systems and low-dimensional solids. In this work we demonst…
Atom-wise formulation of the many-body dispersion problem for linear-scaling van der Waals corrections
Heikki Muhli, Tapio Ala-Nissila, Miguel A. Caro
A common approach to modeling dispersion interactions and overcoming the inaccurate description of long-range correlation effects in electronic structure calculations is the use of…
Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
Jiahui Kang, Jan Kloppenburg, Jiali Sheng +10
Energy- and resource-efficient electrocatalytic water splitting is of paramount importance to enable sustainable hydrogen production. The best bulk catalyst for the hydrogen evolut…