Victor Manuel Freixas Lemus
Computational Scientist
Oceanside,California
Summary
Computational scientist with 10+ years of experience in quantum chemistry, nonadiabatic dynamics, and ultrafast spectroscopy simulations. Specialist in method development and software implementation, with expertise in Python, Fortran, HPC workflows, and quantum chemistry codes (NEXMD, NWChem). Proven track record of designing new algorithms that extend predictive power of DFT/TDDFT and semiempirical methods, with 40+ publications. Now seeking to leverage my strong foundation in quantum chemistry and HPC, while building expertise in GPU-accelerated workflows and AI/ML integration to advance molecular discovery.
Overview
10
10
years of professional experience
Work History
Postdoctoral Scholar
University of California, Irvine | Shaul Mukamel Group
01.2023 - Current
- Developed computational tools for ultrafast X-ray circular dichroism and time-resolved X-ray photoelectron spectra, connecting simulations to experimental observables
- Implemented wavefunction overlap algorithms in NWChem, enabling excited-state property mapping between single- and multireference methods
- Implemented electric quadrupoles in the velocity gauge and transition moments between excited states in NWChem
- Released NEXMD v2.0
Postdoctoral Researcher
Universidad Nacional de Quilmes, Argentina
Buenos Aires
01.2021 - 01.2022
- Co-developed the Ab Initio Multiple Cloning (AIMC) method in NWChem
- Co-developed FrozeNM algorithm for constrained dynamics along normal modes and nonadiabatic couplings in NEXMD
- Developed pump-probe simulations for dendrimers and conjugated oligomers
PhD Studies
Universidad Nacional de Quilmes, Argentina
Buenos Aires
01.2016 - 01.2020
- Developed the Ab Initio Multiple Cloning (AIMC) method in NEXMD
- Co-released NEXMD
Education
PhD - Science and Technology
Universidad Nacional de Quilmes
12.2020
B.S. - Physics
Universidad de La Habana
06.2015
Skills
Programming & Tools: Python, Fortran, C, Git, Linux, HPC, Slurm, Wolfram Mathematica
Computational Chemistry: DFT/TDDFT, semiempirical methods, excited-state dynamics
HPC & Parallelization: MPI, OpenMP, large-scale molecular simulations (>100 atoms)
Method Development: Nonadiabatic molecular dynamics (AIMC, Ehrenfest, surface hopping), ultrafast spectroscopy signals, constrained molecular dynamics, wave function overlaps between single and multireference electronic structure levels
Applications: Organic photovoltaics, dendrimers, charge-transfer in donor-acceptor systems, chirality, X-ray circular dichroism
Experience publishing in leading chemistry journals
Interests
Science, technology, puzzles, chess, soccer, hiking, reading
Timeline
Postdoctoral Scholar
University of California, Irvine | Shaul Mukamel Group
01.2023 - Current
Postdoctoral Researcher
Universidad Nacional de Quilmes, Argentina
01.2021 - 01.2022
PhD Studies
Universidad Nacional de Quilmes, Argentina
01.2016 - 01.2020
B.S. - Physics
Universidad de La Habana
PhD - Science and Technology
Universidad Nacional de Quilmes