Simen Kvaal

Simen Kvaal is a permanent Researcher at the Department of Chemistry, University of Oslo, specializing in computational quantum chemistry and many-body physics. He holds an ERC Starting Grant and leads collaborative projects at the Centre for Advanced Study.

His academic background includes:

• MSc in Physics, University of Oslo (2004)
• PhD in Physics, University of Oslo (2009) under Prof. Morten Hjorth-Jensen and Prof. Ragnar Winther

Dr. Kvaal's research centers on rigorous mathematical approaches to quantum chemistry methodology, particularly density-functional theory and coupled-cluster methods. He pioneers applications of the bivariational principle for solving time-dependent and stationary Schrödinger equations, bridging theoretical physics with applied mathematics to develop physically realistic computational models. His work emphasizes both single-reference and multireference formulations, with recent focus on time-dependent dynamics.

Analysis of his 15 most recent publications reveals dominant trends in Gaussian basis set development for quantum dynamics, Rothe's time-propagation methods, and coupled-cluster theory extensions. Key thematic clusters include time-dependent electronic structure simulations, magnetic field effects in quantum systems, error diagnostics for wave function methods, and optimization-based quantum dynamics formulations – all advancing computational frameworks for many-body quantum problems.

His scientific recognition includes:

• ERC Starting Grant (2014)

As a supervisor, Dr. Kvaal mentors computational science projects including:

• Acceleration of Many-Electron Attosecond Dynamics Simulations
• Molecular Noninteracting Kinetic Energy by Machine Learning
• Quantum Computing Algorithms for many-body quantum systems

He leads a Centre for Advanced Study project (2021-2022) with Prof. Thomas Bondo Pedersen, supported by his ERC grant and institutional resources.

He is embedded within the Centre for Theoretical and Computational Chemistry at UiO, collaborating on interdisciplinary quantum chemistry initiatives that integrate mathematical rigor with computational innovation for molecular and materials science applications.