Planning 2021 Edition

Monday
November 29th
Tuesday
November 30th
Wednesday
December 1st
Thursday
December 2nd
Friday
December 3rd
09:00-11:00 Banerjee Banerjee/Meyer Bal/Tao Tao
11:00-13:00 Bal Meyer Tao Filot
17:00-19:00 Banerjee Bal Meyer Filot
20:45-22:00 Presentations I Presentations II Presentations III Exercises (optional)

Notes

Overview PhD Lectures

Monday November 29th Tuesday November 30th Wednesday December 1st
Timeslot 1 Simulation of the phase transition in DL-methionine
Saba Ghasemlou (RU)
A Computational Multiscale Approach for novel generation of ion transport functionalized 2D-membranes
Dario Calvani (LU)
Applications of Genetic Algorithms in molecular catalysis
Francesco Cannizzaro (TU/e)
Timeslot 2 Promotion of electrochemical reduction of CO2 over SnO2 by surface hydroxyls and metal doping
Zhaochun Liu (TU/e)
Noncovalent interactions from models for the Møller-Plesset adiabatic connection
Timothy Daas (VU)
Path sampling and redox reactions
Daniel Zhang (NTNU)
Timeslot 3 SBH17: Benchmark Database of Barrier Heights on Transition metal surfaces
Theophile Tchakoua (LU)
Prediction of Potential Energy Surfaces using Neural Networks and Hyperparameter Optimization
Albert Thie (RUG)