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 resume. For a complete list of my publications, please visit the Research section of the site.
Professional experience
| 2021 | Postdoctoral fellow TU Dresden, Large-Scale Theoretical Spectroscopy group (LSTS), Germany. Project: Accurate, Exascale-Ready Methods for Theoretical Core-Level Spectroscopy of Complex Materials. Dr. Dorothea Golze's Emmy-Noether group. |
| 2020-2021 | Postdoctoral fellow University of Twente, Computational Chemical Physics Group (CCP), Netherlands. Project: 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 |
Teaching activities
| 2022 | Modern Topics in Theoretical and Computational Chemistry,
course website.
Place: TU Dresden, Germany No. hours: 4 Language: English |
| 2021 | Qualification for a position as an assistant professor in a French University. Section: 30 and 31 of the CNU. Qualification numbers: 21230359242 and 21231359242. |
| 2018-2019 | Laboratory of Thermodynamics. Place: IUT A de Lille (University of Lille), France No. hours: 64 Language: French |
| 2013-2016 | Math Analysis and Linear Algebra. Place: InSTEC (University of Havana), Cuba No. hours: 72 Language: Spanish |
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. |
Competitive research grants and fellowships
| Dec. 2022 | Travel Award of the Graduate Academy Awarded by: TU Dresden Graduiertenakademie Comment: Financed participation on the CECAM workshop Green's function methods: the next generation 5 |
| Oct.-Dec. 2019 | Research Grant German Academic Exchange Service (DAAD). Awarded by: Deutscher Akademischer Austausch Dienst Place: Universität Heidelberg, Theoretical Chemistry Group Supervisor: Prof. Dr. Oriol VENDRELL |
| 2016-2017 | Labex CaPPA Fellowship. Awarded by: Laboratoire d’excellence CaPPA Place: University of Lille |
Selected computational skills
| Programming languages: | Fortran, C and C++ (HPC optimization and parallelization with OpenMP, MPI, ScaLAPACK 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 |