Bucaramanga, Santander, Colombia
Throughout my professional career, I have worked in chemistry in research, teaching, and, more recently, logistics and academic administration. In research and technological development, I specialize in molecular simulation (ChemInformatics) applied in areas such as photochemistry (photoactive materials), drug design, and biochemistry (biological macromolecules) with a view to studying molecular properties, stability, and mechanisms of action. Recently, I also had the challenge of participating in a large-scale environmental pollution project, applying my knowledge of programming and statistics to large amounts of data. -Experience in the formulation, design, and execution of multidisciplinary research projects. Dissemination of results and writing of publications for scientific journals and technical reports. -Development, implementation, and validation of methodologies in simulation and data analysis. -Friendly, responsible, proactive, disciplined, self-taught, and committed to developing objectives and meeting goals. -Willingness to relocate or travel. SOFTWARE: Excel | MS-Office | Linux and slurm HPC | Python | Jupyter Notebooks | Pandas| Numpy| matplotlib | Scipy |Scikit Learn | Dash | Molecular simulation | IBM Watson studio | TCL | Bash | Perl scripting DATA ANALYSIS: Data analysis and Machine Learning (Python). Databases (SQL) for data science. Data visualization and presentation tools. Data science projects.
• Academic administration: Organization and planning of academic offerings, student support plan, curriculum committees, advising and support for students and faculty in the area, organization and planning of student events. Reporting and support for academic indicators (SICA, absenteeism, risk of academic failure, among others), internationalization, and research, promoting improvement in these indicators during my tenure. Integration of the area with academic programs from the curricular and research components. • Management of laboratories in the area: planning and purchasing of supplies, investments, safety and management of toxic waste, offerings and usage statistics, among others. • Teaching: Classes and laboratories in Chemistry, Organic Chemistry, Biochemistry, Biomaterials, and Materials Science. Administrative teaching activities (preparation of virtual classrooms in CANVAS, class materials, and grading) and research.
• Teaching: Classes and laboratories in Chemistry, Organic Chemistry, and Biochemistry. Administrative teaching activities (preparation of virtual classrooms in CANVAS, class materials, and grading) and research.
Full-time analyst of soil contamination and environmental toxicology issues (OPS). • Support in statistical data analysis and discussion of contamination diagnosis results applying different approaches: chemical analysis of soils and water, mobility of contaminants in soil, chemical speciation, and toxicology. • Support in the formulation of management measures for the Bogotá River basin (Consorcio Cuenca Rio Bogotá), CAR jurisdiction, Cundinamarca. As a result of my participation in this project, I wrote four (4) technical reports, which are available on the Figshare platform while they undergo the CAR approval and publication process. https://doi.org/10.6084/m9.figshare.31082371 https://doi.org/10.6084/m9.figshare.31082422 https://doi.org/10.6084/m9.figshare.31082461 https://doi.org/10.6084/m9.figshare.31082494
Theoretical chemistry researcher at the “Institut für Theoretische Chemie und Computerchemie” of Prof. Christel M. Marian. High-level multireference quantum chemical calculations for investigating the (reverse) intersystem crossing ((R)ISC) mechanisms in thermally-activated delayed fluorescence (TADF) emitters in the context of organic light emitting diodes (OLEDs). Direct and Vibronic spin-orbit coupling effects were analyzed in the context of Condon-Herzberg-Teller approximation. Quantum chemical methods include a combination of density functional theory (DFT) and multireference configuration interaction methods (MRCI), time-dependent DFT (and TDA-DFT) as well as implicit solvent effects. The performance of such and other methods such as e.g. ADC2 and CC2 were also evaluated.
Computational chemistry researcher in the Computational Biochemistry department of Prof. Elsa Sanchez-Garcia. Financial support: RESOLV-program. Tasks included QM/MM and classic MD studies of molecular tweezers interacting with ions and proteins. Testing of classical methods for obtaining solvation free energies. Development and testing of force field parameters of the phosphate group in the CLR01 and CLR03 molecular tweezers. Statistics and data analysis.
Computational quantum chemistry researcher for the group of Prof. Walter Thiel (RIP). Benchmark calculations for evaluating the performance of the semiempirical OM2/MRCI method in accurately describing the electronic structure of electron-conjugated oligothiophenes in vertical transition energies, absorption spectra and excited state properties. Development of a new set of OM2 parameters for sulfur (S) atom specially dedicated for correctly describing the torsional potential of oligothiophenes, very important units in organic photovoltaics. Application and testing of this parameters in small polythiophenes, mainly in non-adiabatic surface-hopping (TSH) excited-state dynamics.