8 citations · 8 across the 1 of their papers we have counts for
2 papers
physics.comp-ph2018
Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP
Jens Wehner, Lothar Brombacher, Joshua Brown +6
Many-body Green's functions theory within the GW approximation and the Bethe-Salpeter Equation (BSE) is implemented in the open-source VOTCA-XTP software, aiming at the calculation…
cond-mat.soft2017★ 8 cited
Non-conformal coarse-grained potentials for water
Tonalli Rodríguez-López, Yuriy Khalak, Mikko Karttunen
Water is a notoriously difficult substance to model both accurately and efficiently. Here, we focus on descriptions with a single coarse-grained particle per molecule using the so-…