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Alberto Pérez de Alba Ortíz
Parallel search for competing molecular transition pathways in highdimensional free energy landscapes

Alice Cuzzocrea
Variational principles in quantum Monte Carlo: the troubled story of variance minimization

Anna Bondarenko
Multiscale Modeling of Structural and Optical Properties of Complex Supramolecular Aggregates

Arno Förster
GW with Slater Type Orbitals

Bart Klumpers
Machine Learning Lateral Interactions: Beyond DFT

Luis Suarez
Influence of the crystal packing in singlet fission: one step beyond the gas phase approximation

Mart Simons
Grain surface reaction dynamics from anatomistic perspective

Nick Gerrits
Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not

Pascal Vermeeren
How Lewis Acids Catalyze Diels-Alder Reactions

Pi Haase
In the search for the electric dipole moment of the electron: Theoretical investigations of BaF

Soroush Rasti
Calorimetric Signature of Deuterated Ice II: Turning an Endotherm to an Exotherm

Taha Selim
Unraveling Molecular Collisions in Protoplanetary Disks: Quantum-mechanical methods and techniques to calculate rovibrational collision rates for astrochemical applications

Vivek Sinha
A Multiscale Modelling Approach To Elucidate The Mechanism Of The Oxygen Evolution Reaction At The Hematite-Water Interface

Zimu Wei
Excited state dynamics of BODIPY‐based acceptor‐donor‐acceptor systems: a combined experimental and computational study

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