382 citations · 639 across the 11 of their papers we have counts for
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cond-mat.soft2020★ 18 cited
Molecular simulation of thermosetting polymer hardening: reactive events enabled by controlled topology transfer
Robert H. Meißner, Julian Konrad, Benjamin Boll +2
We present a quantum mechanical / molecular mechanics (QM/MM) to tackle chemical reactions with substantial molecular reorganization. For this, molecular dynamics simulations with…
physics.comp-ph2020★ 19 cited
Electrical Double Layer Capacitance of Curved Graphite Electrodes
Jannes Seebeck, Peter Schiffels, Sabine Schweizer +2
To improve the understanding of the relation between electrode curvature and energy storage mechanisms, a systematic investigation of the correlation between convex and concave ele…