Francisco A. Delesma
Work Experience
Postdoctoral Researcher, TU Dresden
Feb 2024 - Current
Development of low-scaling GW algorithms for emerging Exascale architectures
Supervisor: Dr. Dorothea Golze
Postdoctoral Researcher, Aalto University
May 2021 - Jan 2024
Advanced Electronic Structure Theory Development
Supervisor: Prof. Patrick Rinke
Postdoctoral Researcher, Department of Chemistry, Cinvestav
Sep 2020 - Apr 2021
Development of self-consistent auxiliary density perturbation theory
Supervisor: Dr. Andreas Köster
Education
Nanociencie and Nanotechnology
2015 - 2020
Doctoral Degree
Center for Research and Advanced Studies of the National Polytechnic Institute
Thesis: Range-Separated Hybrid Functionals in the Auxliary Density Functional Theory
Publications
Azizi M.; Delesma F.A.; Giantomassi M.; Zavickis D.; Kuisma M.; Thyghesen K.; Golze D.; Buccheri A.; Zhang M.Y.; Rinke P.; Draxl C.; Gonze X., Precision benchmarks for solids: G0W0 calculations with different basis sets, Comput. Mater. Sci. 250, 113655 (2025)
Azizi M.; Wilhelm J.; Golze D.; Delesma F.A.; Panadés-Barrueta R.L.; Rinke P.; Giantomassi M.; Gonze X., Validation of the GreenX library time-frequency component for efficient GW and RPA calculations, Phys. Rev. B 109, 245101 (2024)
Delesma F.A.; Leucke M., Golze D.; Rinke P., Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework, J. Chem. Phys. 160, 024118 (2024)
Azizi M.; Wilhelm J.; Golze D.; Giantomassi M.; Panadez-Barrueta R. Delesma F.A.; Buccheri A.; Gulans A.; Rinke P.; Draxl C.; Gonze X., Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations, J. Open Source Softw. 8 (2023)
Delesma F.A.; Delgado-Venegas R.I.; Salahub D.R.; del Campo J.M.; Pedroza Montero J.N.; Calaminici P.; Koster A.M., Self Consistent Auxiliary Density Perturbation Theory, J. Chem. Theory Comput. 17, 6934-6946 (2021)
Pedroza-Montero J.N., Delesma F.A.; Calaminici P.; Koster A.M., Variational Fitting of the Fock Exchange Potential with Modified Cholesky Decomposition, J. Chem. Phys. 153, 134112 (2020)
Delesma F.A.; Geudtner G.; Mejia-Rodríguez D.; Calaminici P.; Koster A.M., Range-Separated Hybrid Functionals with Variational Fitting Exact Exchange, J. Chem. Theory Comput. 14, 5608-5616 (2018)
Gomez-Perez J.R.; Delesma F.A.; Calaminici P., Koster A.M., Accuracy of auxiliary density functional theory hybrid calculations for activation and reaction enthalpies of pericyclic reactions, J. Mol. Model. 24, 223 (2018)
Delesma F.A.; Van den Bossche M.; Grönbeck H.; Calaminici P.; Köster A.M.; Pettersson L.G.M., A Chemical View on X-ray Photoelectron Spectroscopy: The ESCA molecule and surface-to-bulk XPS shifts, ChemPhysChem, 18, 169-174 (2018)
Pedroza-Montero J.N.; Delesma F.A.; Delgado-Venegas R.I.; Calaminici P.; Köster A.M., Static and dynamic polarizabilities of oligothiophenes, Theor. Chem. Acc. 135, 230 (2016)
Delesma F.A., Myers-Perry Solution in 4D, AIP Conf. Proc. 1396, 129-133 (2011)
Preprints
Azizi M.; Delesma F.A.; Giantomassi M.; Zavickis D.; Kuisma M.; Thyghesen K.; Golze D.; Buccheri A.; Zhang M.Y.; Rinke P.; Draxl C.; Gonze X., Precision benchmarks for solids: G0W0 calculations with different basis sets, arXiv:2411.19701 (2024)
Azizi M.; Wilhelm J.; Golze D.; Delesma F.A.; Panadés-Barrueta R.L.; Rinke P.; Giantomassi M.; Gonze X., Validation of the GreenX library time-frequency component for efficient GW and RPA calculations, arXiv:2403.06709, (2024)
Delesma F.A.; Leucke M.; Golze D.; Rinke P., Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework, arXiv.2310.11058, (2023)