My research focuses on the numerical analysis of differential equations and the development of methods for simulating quantum and mixed quantum-classical dynamics. As part of my previous research activities, I have specialised in the following areas:
A central goal of my work is to bridge the gap between mathematics and applied sciences, such as quantum chemistry. To achieve this, I combine theoretical insights with numerical experiments, ensuring the practical applicability and rigorous validation of novel methodologies.
(T13) PDEs in mixed quantum-classical dynamics and the koopmon method
XIII Forum of Partial Differential Equations
Institute of Mathematics of the Polish Academy of Sciences, Będlewo, Poland, 27 June 2024
(T12) Bridging the Quantum-Classical Divide: The Koopmon Method, Group B Seminar
University of Surrey, Guildford, UK, 16 May 2024
(T11) Bridging the Quantum-Classical Divide in Molecular Dynamics: The Koopmon Method
Modern Methods for Differential Equations of Quantum Mechanics
Banff International Research Station, Banff, Canada, 23 April 2024
(T10) A New Computational Approach for Bridging the Quantum-Classical Divide in Molecular Dynamics, Oberseminar Numerical Analysis in CSE
Technical University of Munich, Garching, Germany, 1 February 2024
(P4) A new Perspective on Bohmion Dynamics in Phase Space
CHAMPS – Workshop on Electron and Nuclear Dynamics in Phase Space
University of Bristol, Bristol, UK, 10 January 2024
(P3) Variational Asymptotics in Bohmion and Koopmon Dynamics
CHAMPS – Workshop on Electron and Nuclear Dynamics in Phase Space
University of Bristol, Bristol, UK, 9 January 2024
(T9) Bridging the Quantum-Classical Divide in Molecular Dynamics: The Koopmon Method
Batista Group Seminar
Yale University, New Haven, USA, 20 October 2023
(T8) Bridging the Quantum-Classical Divide in Molecular Dynamics: The Koopmon Method
Wisconsin Quantum Institute Seminar
University of Wisconsin-Madison, Madison, USA, 16 October 2023
(T7) Madelung Transform and Variational Approaches beyond Born-Oppenheimer Molecular Dynamics, 6th International Conference on Geometric Science of Information
Saint-Malo, France, 31 August 2023
(P2) Simulating Mixed Quantum-Classical Dynamics Using the Koopmon Method
New Frontiers for Simulating Nonequilibrium Many Body Systems in Physics and Chemistry: An Interdisciplinary Response
Sorbonne Université, Paris, France, 28 June 2023
(P1) Simulating Mixed Quantum-Classical Dynamics Using the Koopmon Method
Quantum-classical interface in closed and open systems
University of Surrey, Guildford, UK, 21 June 2023
(T6) Gaussian Wave Packets in Quantum Dynamics
Applied and Computational Analysis Seminar
University of Cambridge, Cambridge, UK, 2 February 2023
(T5) Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations
Computational Mathematics for Quantum Technologies
University of Bath, Bath, UK, 1 August 2022
(T4) The Gaussian Wave Packet Transform and its Application in Quantum Dynamics
Nonlinear Waves and Geometric Fluid Dynamics Seminar
University of Surrey, Guildford, UK, 27 May 2022
(T3) The Gaussian Wave Packet Transform via Quadrature Rules
Batista Group Seminar
Yale University, Online Presentation, 10 February 2021
(T2) The Gaussian Wave Packet Transform via Quadrature Rules
Seminar of the ERC Synergy Project,
École des Ponts ParisTech and INRIA Paris
Online Presentation, 18 December 2020
(T1) Fourier Series Windowed by a Bump Function
Mathematical Physics at the Crossings
Virginia Tech, Blacksburg, USA, 23 May 2019
XIII Forum of Partial Differential Equations
Institute of Mathematics of the Polish Academy of Sciences
Będlewo, Poland, 23–29 June 2024
Modern Methods for Differential Equations of Quantum Mechanics
Banff International Research Station
Banff, Canada, 21–26 April 2024
Molecular Dynamics
Université d'Angers
Angers, France, 19–23 February 2024
CHAMPS – Workshop on Electron and Nuclear Dynamics in Phase Space,
University of Bristol
Bristol, UK, 08–10 January 2024
From Physics to Life, Blue Sky Thinking Workshop
University of California Los Angeles
Los Angeles, USA, 11 October 2023
6th International Conference on Geometric Science of Information
Saint-Malo, France, 30 August–01 September 2023
New Frontiers for Simulating Nonequilibrium Many Body Systems in Physics and Chemistry: An Interdisciplinary Response
Sorbonne Université
Paris, France, 28–30 June 2023
Quantum-classical interface in closed and open systems
University of Surrey
Guildford, UK, 21 June 2023
Fourth AGM Meeting: Geophysical Fluid Dynamics
University of Edinburgh
Edinburgh, UK, 05–06 June 2023
Third AGM Meeting: Wave Current Interactions
Imperial College London
London, UK, 30 March 2023
CHAMPS – Workshop on Exact factorization, Geometric Phase and Bohmian mechanics
University of Bristol
Bristol, UK, 19–20 September 2022
Computational Mathematics for Quantum Technologies
University of Bath
Bath, UK, 01–05 August 2022
Second AGM Meeting: Geometric Hydrodynamics: Quantum and Classical
University of Surrey
Guildford, UK, 22 July 2022
First AGM Meeting: Geometric and Structure-Preserving Numerics
University of Exeter
Exeter, UK, 26 April 2022
Algorithms in Quantum Molecular Dynamics
Centre International de Rencontres Mathématiques
Marseille, France, 14–18 September 2020 (Video transmission due to the COVID-19 pandemic)
Algorithmes en Dynamique Quantique Moléculaire
Université Paris-Est
Marne-la-Vallée, France, 04–12 March 2020
Geometry, compatibility and structure preservation in computational differential equations
Isaac Newton Institute for Mathematical Sciences
Cambridge, UK, 10–13 December 2019
Mathematical Physics at the Crossings
Virginia Polytechnic Institute and State University
Blacksburg, USA, 20–24 May 2019
Mathematical Methods in Quantum Molecular Dynamics
Mathematisches Forschungsinstitut Oberwolfach
Oberwolfach, Germany, 22–26 April 2019
Conference on Modelling, Analysis and Simulation of Molecular Systems
RWTH Aachen University
Aachen, Germany, 12–13 October 2017
Modern Numerical Methods for Quantum Mechanics
Polish Academy of Sciences
Warsaw, Poland, 20–22 March 2017
Different Mathematical Perspectives on Description of Unresolved Scales in Multiscale Systems
Mathematisches Forschungsinstitut Oberwolfach
Oberwolfach, Germany, 20–26 November 2016
Symposium on advances in semi-classical methods in mathematics and physics
University of Groningen
Groningen, Netherlands, 19–21 October 2016