Click on a video to watch.
Click on a title to read the abstract.
|
|
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
|
