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Edwin Fernando Posada
Edwin Fernando Posada
HPC Engineer
Verified email at ornl.gov - Homepage
Title
Cited by
Cited by
Year
LOWDIN: The any particle molecular orbital code
R Flores‐Moreno, E Posada, F Moncada, J Romero, J Charry, ...
International Journal of Quantum Chemistry 114 (1), 50-56, 2014
692014
A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations
J Romero, E Posada, R Flores-Moreno, A Reyes
The Journal of Chemical Physics 137 (7), 2012
332012
Including nuclear quantum effects into highly correlated electronic structure calculations of weakly bound systems
NF Aguirre, P Villarreal, G Delgado-Barrio, E Posada, A Reyes, ...
The Journal of Chemical Physics 138 (18), 2013
172013
Negative muon chemistry: The quantum muon effect and the finite nuclear mass effect
E Posada, F Moncada, A Reyes
The Journal of Physical Chemistry A 118 (40), 9491-9499, 2014
152014
Non-Born–Oppenheimer self-consistent field calculations with cubic scaling
F Moncada, E Posada, R Flores-Moreno, A Reyes
Chemical Physics 400, 103-107, 2012
142012
The any particle molecular orbital grid-based Hartree-Fock (APMO-GBHF) approach
E Posada, F Moncada, A Reyes
The Journal of Chemical Physics 148 (8), 2018
52018
Alphafold2 workflow optimization for high throughput predictions in hpc environment
EF Posada, F McGee, R Berger, M Dorrell, J Lamanna, S Sanielevici, ...
Practice and Experience in Advanced Research Computing, 1-5, 2022
32022
OPTIMIZATION OF SOFTWARE PACKAGE FOR STUDIES OF QUANTUM NUCLEAR EFFECTS: APMO
E Posada, F Moneada, A Reyes
Revista Colombiana de Química 40 (1), 35-45, 2011
1*2011
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60
F Moncada, W Quintero, E Posada, LGM Pettersson, A Reyes
ChemPhysChem, e202300498, 2024
2024
Theoretical development and computational implementation of a basis-set-free methodology for the study of nuclear quantum effects (Nu-APMO: Numerical Any Particle Molecular …
EF Posada Correa
Química, 2017
2017
Improving performance of basis-set-free hartree-fock calculations through grid-based massively parallel techniques
EF Posada-Correa
SISSA; ICTP, 2015
2015
The APMO-MOLPRO interface: Highly correlated electronic structure calculations with the inclusion of quantum nuclear effects at Hartree-Fock level
NF Aguirre, EF Posada, A Reyes, P Villarreal, G Delgado Barrio, ...
Universidad Nacional de Colombia, 2011
2011
Optimización del paquete computacional para el cálculo de estructura núcleo-electrónica (APMO)
EF Posada Correa
Departamento de Química, 2011
2011
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Articles 1–13