Putting mathematics at the
center of innovation

Research Areas

My research lies at the interface of numerical analysis and quantum dynamics. I develop and analyse numerical methods for the time-dependent Schrödinger equation and for mixed quantum-classical systems, aiming to bridge rigorous mathematics with applied sciences such as quantum chemistry and quantum computing. Across these projects, I pair theoretical error analysis with numerical experiments to establish both the correctness and the practical performance of new methods. My work spans the following areas:

Mixed quantum-classical dynamics

Geometric and variational methods, including hybrid wavefunctions and particle closures, with applications to nonadiabatic dynamics and physical systems such as Rashba spin-orbit coupling

Quantum dynamics

Error analysis and numerical simulation of methods for the linear and nonlinear Schrödinger equation

Gaussian wave packet methods

Analysis of the approximation of wave functions via Fourier analysis, frozen and thawed Gaussian propagation for the linear Schrödinger equation

Splitting methods

Structure-preserving time integrators for differential equations based on operator splitting

Low-rank and tensor-train methods

Compressed representations for high-dimensional quantum dynamics and optimization

Quantum algorithms

Variational methods for near-term quantum computing

Selected Publications

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2024 Published

Koopmon trajectories in nonadiabatic quantum-classical dynamics

with W. Bauer, F. Gay-Balmaz, C. Tronci

SIAM Multiscale Model. Simul., 22(4):1365-1401

2022 Published

An error bound for the time-sliced thawed Gaussian propagation method

with C. Lasser

Numer. Math., 152, 511-551

2022 Published

Functional Tensor-Train Chebyshev Method for Multidimensional Quantum Dynamics Simulations

with M. B. Soley, A. Gorodetsky, V. S. Batista

J. Chem. Theory Comput., 18, 25-36