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This page provides a summary of my career to date. For a more in-depth profile, you can view my comprehensive academic CV or the more succinct industry resume. For a complete list of my publications, please visit the Research section of the site.

Professional experience

2024 Sotware engineer
Algorithmiq, Finland (remote).
Description: Implement high-performance, hybrid quantum-classical algorithms based on tensor-network methods
2021-2023 Postdoctoral fellow
TU Dresden, Large-Scale Theoretical Spectroscopy group (LSTS), Germany.
Description: Accurate, Exascale-Ready Methods for Theoretical Core-Level Spectroscopy of Complex Materials
2020-2021 Postdoctoral fellow
University of Twente, Computational Chemical Physics Group (CCP), Netherlands.
Description: Targeting Real chemical accuracy at the EXascale (TREX). European HPC Centre of Excellence (CoE)

Education

2017-2020 PhD in Physics, University of Lille, France
Thesis title: Full quantum simulations of the interaction between atmospheric molecules and model soot particles
(available at theses.fr)
Supervisor: Prof. Dr. Daniel Peláez-Ruiz
2016-2017 MSc in Physics, University of Lille, France
Thesis title: Towards a quantum dynamical description of the photodissociation of Cl2 molecule adsorbed on ice
Supervisors: Prof. Dr. Daniel Peláez-Ruiz and Prof. Dr. Maurice Monnerville
2011-2016 BSc in Radiochemistry, University of Havana, Higher Institute of Technologies and Applied Sciences (InSTEC), Cuba
Thesis title: Mean Potential Phase Space Theory study of the Si(3P) + OH(X2Π) → SiO(X1Σ+) + H(2S) reaction
Supervisor: Assoc. Prof. Dr. Alejandro Rivero-Santamaría

Honors and Awards

2022 Poster Commendation Prize
Psi-k Conference (Psi-k 22). Lausanne, Switzerland.
2019 Best Poster Prize
10th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC). Madrid, Spain.
2018 Best Poster Prize
6th High Dimensional Quantum Dynamics Workshop (HDQD). Lille, France.
2018 PCCP Best Poster Prize
9th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC). Berlin, Germany.
2010 IChO Contestant
Cuba Team in the 42 nd International Chemistry Olympiad (IChO 2010). Tokyo, Japan

Selected seminars, conference talks and posters

March 2023 Accelerating core-level GW calculations using the CD approach with analytic continuation of W,
Contributed talk. DPG-Frühjahrstagung der Sektion Kondensierte Materie. Dresden, Germany.
August 2022 Accelerating core-level GW calculations by combining the contour deformation with the analytic continuation of W,
Poster. Psi-k 22 conference. Lausanne, Switzerland.
December 2021 An overview of GW and its applications to core level spectroscopy,
Seminar. TU Dresden, Germany.
November 2020 A gentle introduction to MCTDH,
Seminar. University of Twente, Netherlands.
August 2020 On the automatic computation of global (intermolecular) potential energy surfaces for quantum dynamical simulations,
Invited speaker. Symposium and Summer School on Physics of Ionized Gases. Šabac, Serbia.
February 2020 Automatic computation of global (intermolecular) potential energy surfaces for (non) covalently bound systems,
Contributed talk. Journée Chimie Théorique et Simulation Moléculaire IdF/Nord. Chimie ParisTech. Paris, France.

Computational skills

Programming languages: Fortran, C and C++ (HPC optimization and parallelization with OpenMP, MPI, ScaLAPACK, HIP, and CUDA), Python (SciPy, NumPy, Matplotlib, scikit-learn), Julia, Wolfram Language, Bash, Lisp (Elisp, Racket, Common Lisp), LaTeX, HTML/CSS
Software: FHI-aims (Developed low-scaling massively parallel GW algorithms), MCTDH (Developed the SOP-FBR and SRPTucker packages), CHAMP (Developed massively parallel QMC algorithms), AutoMeKin, MOPAC, Quantum package, MOLPRO, MOLCAS, Gaussian, Wolfram Mathematica, Emacs, Git, Inkscape, LibreOffice
Numerical methods: Tensor decomposition, Optimization Algorithms, Quantum Monte Carlo, low-scaling GW algorithms
OS: (NixOS) Linux, UNIX