If you made any changes in Pure these will be visible here soon.

Personal profile

Ancillary activities

No ancillary activities

Ancillary activities are updated daily

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 11 Similar Profiles
Density functional theory Chemical Compounds
Electron-electron interactions Chemical Compounds
Discrete Fourier transforms Chemical Compounds
interpolation Physics & Astronomy
density functional theory Physics & Astronomy
Interpolation Chemical Compounds
Pipelines Chemical Compounds
Statistics Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2015 2018

Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes

Kooi, D. P. & Gori-Giorgi, P., Dec 2018, In : Theoretical Chemistry Accounts. 137, 12, p. 1-12 12 p., 166.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Discrete Fourier transforms
interpolation
Interpolation
flux density
Kinetic energy

eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations

Capoferri, C. L., van Dijk, M., Rustenburg, A. S., Wassenaar, T., Kooi, D. P., Rifai, E. A., Vermeulen, N. P. E. & Geerke, D. P., 2017, In : Journal of Cheminformatics. 9, 58, p. 1-13 13 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Pipelines
Ligands
energy
ligands
Free energy

Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

Grossi, J., Kooi, D. P., Giesbertz, K. J. H., Seidl, M., Cohen, A. J., Mori-Sánchez, P. & Gori-Giorgi, P., 12 Dec 2017, In : Journal of Chemical Theory and Computation. 13, 12, p. 6089-6100 12 p.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access
Electron-electron interactions
Density functional theory
Statistics
statistics
density functional theory

Improving the iterative linear interaction energy approach using automated recognition of configurational transitions.

Vosmeer, C. R., Kooi, D. P., Capoferri, L., Terpstra, M. M., Vermeulen, N. P. E. & Geerke, D. P., 2016, In : Journal of Molecular Modeling. 1, 31.

Research output: Contribution to JournalArticleAcademicpeer-review

Open Access

Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project

Sanz, F., Carrio, P., Lopez, O., Capoferri, L., Kooi, D. P., Vermeulen, N. P. E., Geerke, D. P., Montanari, F., Ecker, G. F., Schwab, C. H., Kleinoeder, T., Magdziarz, T. & Pastor, M., Jun 2015, In : Molecular Informatics. 34, 6-7, p. 477-484

Research output: Contribution to JournalArticleAcademicpeer-review