Add to watchlist
Back

 

46450-01 - Lecture: Computational Quantum Mechanics Based Design of Matter: Discovering Novel Molecules, Liquids, or Materials 2 CP

Semester spring semester 2017
Course frequency Irregular
Lecturers Anatole von Lilienfeld (anatole.vonlilienfeld@unibas.ch, Assessor)
Content Inverse Question
Computing properties: Quantum & Statistical Mechanics/Accuracy vs Cost
Chemical Compound Space
Perturbation theory and machine learning
Optimization (Stochastic, Evolutionary, Gradient, Discrete)
High-Performance Computing
Examples of compound design
Learning objectives Students will become familiar with the state of the art in computational materials and molecular design
Bibliography In Mathematical Physics Studies (Springer) volume IX, page 417, (2014) 'Many-Electron Approaches in Physics, Chemistry and Mathematics: A Multidisciplinary View' edited by Luigi Delle Site (FU Berlin) and Volker Bach (TU Braunschweig): Chapter ``Towards the Computational Design of Compounds from First Principles' by von Lilienfeld. Also available online at
http://www.chemie.unibas.ch/~anatole/pubs/SpringerChapter2013.pdf

 

Admission requirements Attend minimal number of lectures
Course application Belegen via MOnA.
Language of instruction English
Use of digital media No specific media used

 

Interval weekly
Date 23.02.2017 – 01.06.2017
Time Thursday, 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Date Time Room
Thursday 23.02.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 02.03.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 09.03.2017 14.15-16.00 Fasnachtsferien
Thursday 16.03.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 23.03.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 30.03.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 06.04.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 13.04.2017 14.15-16.00 Ostern
Thursday 20.04.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 27.04.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 04.05.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 11.05.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 18.05.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Thursday 25.05.2017 14.15-16.00 Auffahrt
Thursday 01.06.2017 14.15-16.00 Chemie, Physikalische, Kleiner Hörsaal PC 4.04
Modules Doctorate Chemistry: Recommendations (PhD subject Chemistry)
Module Specialisation (Master Chemistry)
Module Specialisation: Chemistry (Master Nanosciences)
Assessment format continuous assessment
Assessment details Written exam
Assessment registration/deregistration Reg./dereg.: course registr./cancel registr. via MOnA
Repeat examination no repeat examination
Scale 1-6 0,5
Repeated registration as often as necessary
Responsible faculty Faculty of Science, studiendekanat-philnat@unibas.ch
Offered by Departement Chemie

Back