High-Performance Computing Specialist, Theoretical and Computational Chemist, Ph.D.
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Oak Ridge National Lab
- Knoxville, Teneessee
- https://co.linkedin.com/in/efposadac
Highlights
- Pro
Stars
Spack environments for OLCF resources.
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
Electronic Structure Package with the NEO/APMO implementation
Numerical Any particle Molecular Orbital (APMO) package: Numerical implementation of APMO - NEO - OMNE method.
Libint: high-performance library for computing Gaussian integrals in quantum mechanics