output
20162026
most citedGel-Based Morphological Design of Zirconium Metal-organic Frameworks

289 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2024 · physics.chem-phShow all

2 papers · 2 filters

physics.chem-ph2024★ 6 cited

Efficient Implementation of the Random Phase Approximation with Domain-based Local Pair Natural Orbitals

Yu Hsuan Liang, Xing Zhang, Garnet Kin-Lic Chan +2

We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With opti…

physics.chem-ph2024

Integer linear programming for unsupervised training set selection in molecular machine learning

Matthieu Haeberle, Puck van Gerwen, Ruben Laplaza +4

Integer linear programming (ILP) is an elegant approach to solve linear optimization problems, naturally described using integer decision variables. Within the context of physics-i…