7 citations · 14 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2024★ 7 cited
Inverse Design Method with Enhanced Sampling for Complex Open Crystals: Application to Novel Zeolite Self-Assembly in a Coarse-Grained Model
Chaohong Wang, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra
Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for…
cond-mat.stat-mech2023★ 7 cited
A Boltzmann generator for the isobaric-isothermal ensemble
Steyn van Leeuwen, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra
Boltzmann generators (BGs) are now recognized as forefront generative models for sampling equilibrium states of many-body systems in the canonical ensemble, as well as for calculat…