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Derk P. Kooi
Derk P. Kooi
PhD Student, Theoretical Chemistry VU
Verified email at vu.nl
Title
Cited by
Cited by
Year
Fermionic statistics in the strongly correlated limit of Density Functional Theory
J Grossi, DP Kooi, KJH Giesbertz, M Seidl, AJ Cohen, P Mori-Sánchez, ...
Journal of chemical theory and computation 13 (12), 6089-6100, 2017
252017
Integrative modeling strategies for predicting drug toxicities at the eTOX project
F Sanz, P Carrió, O López, L Capoferri, DP Kooi, NPE Vermeulen, ...
Molecular Informatics 34 (6‐7), 477-484, 2015
232015
Large coupling-strength expansion of the Møller–Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
TJ Daas, J Grossi, S Vuckovic, ZH Musslimani, DP Kooi, M Seidl, ...
The Journal of chemical physics 153 (21), 2020
202020
Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions
CR Vosmeer, DP Kooi, L Capoferri, MM Terpstra, NPE Vermeulen, ...
Journal of molecular modeling 22, 1-8, 2016
172016
A variational approach to london dispersion interactions without density distortion
DP Kooi, P Gori-Giorgi
The journal of physical chemistry letters 10 (7), 1537-1541, 2019
162019
Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes
DP Kooi, P Gori-Giorgi
Theoretical chemistry accounts 137, 1-12, 2018
162018
The effect of N-acetylcysteine on brain glutamate and gamma-aminobutyric acid concentrations and on smoking cessation: a randomized, double-blind, placebo-controlled trial
MHJ Schulte, AE Goudriaan, AM Kaag, DP Kooi, W Van Den Brink, ...
Journal of Psychopharmacology 31 (10), 1377-1379, 2017
162017
Gradient expansions for the large-coupling strength limit of the Møller–Plesset adiabatic connection
TJ Daas, DP Kooi, AJAF Grooteman, M Seidl, P Gori-Giorgi
Journal of chemical theory and computation 18 (3), 1584-1594, 2022
152022
Electronic excited states in extreme limits via ensemble density functionals
T Gould, DP Kooi, P Gori-Giorgi, S Pittalis
Physical review letters 130 (10), 106401, 2023
142023
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations
L Capoferri, M van Dijk, AS Rustenburg, TA Wassenaar, DP Kooi, EA Rifai, ...
Journal of cheminformatics 9, 1-13, 2017
92017
Real-space Mott-Anderson electron localization with long-range interactions
A Marie, DP Kooi, J Grossi, M Seidl, ZH Musslimani, KJH Giesbertz, ...
Physical Review Research 4 (4), 043192, 2022
62022
London dispersion forces without density distortion: a path to first principles inclusion in density functional theory
DP Kooi, P Gori-Giorgi
Faraday Discussions 224, 145-165, 2020
52020
Regularized and Opposite Spin-Scaled Functionals from Møller–Plesset Adiabatic Connection─ Higher Accuracy at Lower Cost
KJ Daas, DP Kooi, NC Peters, E Fabiano, F Della Sala, P Gori-Giorgi, ...
The Journal of Physical Chemistry Letters 14 (38), 8448-8459, 2023
42023
The Lieb-Oxford bound and the optimal transport limit of DFT
M Seidl, T Benyahia, DP Kooi, P Gori-Giorgi
arXiv preprint arXiv:2202.10800, 2022
32022
Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb–Oxford bound
KJ Daas, DP Kooi, T Benyahia, M Seidl, P Gori-Giorgi
The Journal of Chemical Physics 159 (23), 2023
22023
Efficient bosonic and fermionic Sinkhorn algorithms for non-interacting ensembles in one-body reduced density matrix functional theory in the canonical ensemble
DP Kooi
arXiv preprint arXiv:2205.15058, 2022
22022
Dispersion without many-body density distortion: Assessment on atoms and small molecules
DP Kooi, T Weckman, P Gori-Giorgi
Journal of chemical theory and computation 17 (4), 2283-2293, 2021
22021
New density-functional approximations and beyond: general discussion
JG Brandenburg, K Burke, A Cancio, J Erhard, E Fromager, A Ghosal, ...
Faraday Discussions 224, 166-200, 2020
12020
Testing Local Interpolations along the Adiabatic Connection in Density Functional Theory
DP Kooi
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Articles 1–19