Pablo del Mazo Sevillano

Positions

• Mar 2023-: Assistant Professor, Autonomous University of Madrid. Applied Chemical Physics Department, Madrid (Spain).
• Jan 2023-Feb 2023: Margarita Salas Contract, Autonomous University of Madrid. Applied Chemical Physics Department, Madrid (Spain).
• May 2021-Dec 2022: Postdoctoral Contract, Free University of Berlin. Department of Mathematics, Berlin (Germany).
• Sep 2017-Apr 2021: University Assistant, Autonomous University of Madrid. Applied Chemical Physics Department, Madrid (Spain).
• Jun 2016-Sep 2017: Practice contract (Garantía Juvenil), Spanish National Research Council (CSIC), Madrid (Spain).

Publications

• Quantum study of the CH₃⁺ photodissociation in full-dimensional neural network potential energy surfaces: PMS, A. Aguado, J. R. Goicoechea, O. Roncero, J. Chem. Phys. 160, 184307 (2024).
• Variational principle to regularize machine-learned density functionals: The non-interacting kinetic-energy functional: PMS, J. Hermann, J. Chem. Phys. 159, 194107 (2023).
• The role of dimers in complex forming reactions at low temperature: Full dimension potential and dynamics of (H₂CO)₂+OH reaction: PMS, A. Aguado, A. Zanchet, O. Roncero, ChemPhysChem 24, e202300291 (2023).
• Vibrational, non-adiabatic and isotopic effects in the dynamics of the H₂ + H₂⁺ → H₃⁺ + H reaction: PMS, D. Félix-González, A. Aguado, C. Sanz-Sanz, K. D.-H, O. Roncero, Molecular Physics , (2023).
• Neural network potential energy surface for the low temperature ring polymer molecular dynamics of the H₂CO + OH reaction: PMS, A. Aguado, O. Roncero, J. Chem. Phys. 154, 094305 (2021).
• Zero- and High-Pressure Mechanisms in the Complex Forming Reactions of OH with Methanol and Formaldehyde at Low Temperatures: F. Naumkin, PMS, A. Aguado, Y. V. Suleimanov, O. Roncero, ACS Earth Space Chem. 3, 1158-1169 (2019).
• Quantum Roaming in the Complex-Forming Mechanism of the Reactions of OH with Formaldehyde and Methanol at Low Temperature and Zero Pressure: A Ring Polymer Molecular Dynamics Approach: PMS, A. Aguado, E. Jiménez, Y. V. Suleimanov, O. Roncero, J. Chem. Phys. Lett. 10, 1900-1907 (2019).
• Full dimensional potential energy surface and low temperature dynamics of the H₂CO + OH → HCO + H₂O reaction: A. Zanchet et al., Phys. Chem. Chem. Phys. 20, 5415-5426 (2018).
• Is the Gas-phase OH+H₂CO Reaction a Source of HCO in Interstellar Cold Dark Clouds? A Kinetic, Dynamic, and Modeling Study: A. J. Ocaña et al., ApJ 850, 28 (2017).

Education

• 2021: PhD in Theoretical Chemistry and Computational Modelling, Autonomous University of Madrid (Spain).
• 2017: M. S. in Theoretical Chemistry and Computational Modelling, University of Salamanca (Spain).
• 2016: M. S. Teacher Training in Secondary Education, Vocational Training and Language Teaching, Valencian International University (Spain).
• 2015: B. S. in Chemistry, University of Salamanca (Spain).

Congress

Invited

• Machine learning to represent the PES of gas phase reactions, SUL4LIFE Kick-off meeting, 2024, Madrid (Spain) .
• Potential Energy Surface and dynamics of the H₂CO + OH reaction, Collisional Excitation of Hydrides in the Interstellar Medium, 2019, University of Salamanca (Spain) .

Communication

• Dealing with the Spurious Long-Range Interactions in PIP-NNs Potential Energy Surfaces, Quantum Reactive Scattering (QRS), 2024, University of Istanbul (Türkiye) .
• Variational principle to regularize machine-learned density functionals, XVII Iberian Joint Meeting on Atomic and Molecular Physics, 2023, University of Coimbra (Portugal) .
• Artificial Neural Network Potential Energy Surface for H₂CO+OH reaction, 10^th International Meeting on Atomic and Molecular Physics and Chemistry-IMAMPC2019, 2019, Autonomous University of Madrid (Spain) .
• Potential Energy Surface and dynamics for the H₂CO + OH reaction, IX Jornadas de Jóvenes Investigadores en Física Atómica y Molecular, 2017, University of Sevilla (Spain) .

Poster

• Neural network potential energy surface for the low temperature Ring Polymer Molecular Dynamics of the H₂CO + OH reaction, Symposium on Machine Learning in Quantum Chemistry, 2021, Xiamen (China) (online).
• Quantum Roaming in the Complex Forming Mechanism of Reactions of OH with H₂CO and CH₃OH at Low Temperature in the Low Pressure Limit: A Ring Polymer Molecular Dynamics Approach, EpoLM-4, 2019, University of Groningen, Groningen (The Netherlands) .
• Dynamics for the H₂CO + OH reaction, COST CM 1401 “Our Astrochemical History”, 2018, University of Groningen, Groningen (The Netherlands) .
• Potential Energy Surface and kinetics of the H₂CO + OH reaction, The Astrochemical Week, 2017, University of Algarve, Faro (Portugal) .
• Potential Energy Surface and low temperature reaction dynamics for H₂CO + OH → H₂O+HCO, COST CM 1401 “Our Astrochemical History”, 2017, University of Castilla-La Mancha, Ciudad Real (Spain) .
• Potential Energy Surface for the H₂CO + OH reaction, European Conference on Laboratory Astrophysics, 2016, Madrid (Spain) .

Awards

• Extraordinary Award in Master Degree (Master Degree in "Theoretical Chemistry and Computational Modelling").