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UMR 5182

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Literature Related Group Talks

What is a bandgap and how to compute it?

by Antton Curutchet (28th of April 2018)

PDF document icon Bandgap.pdf — PDF document, 1.99 MB (2090081 bytes)

Kinetic Monte Carlo

by Ruben Staub (18th of May, 2018)

PDF document icon KMC.pdf — PDF document, 1.48 MB (1553074 bytes)


by Paul Clabaut (1st of June 2018)

PDF document icon Metadynamics.pdf — PDF document, 10.90 MB (11428062 bytes)

Scaling of Computational Tasks

by Benjamin Schweitzer (29th of June 2018)

PDF document icon Scaling.pdf — PDF document, 5.22 MB (5472622 bytes)

Micro-solvation model and its applications

by Qingyi Gu, aka Chris (7th of September 2018)

PDF document icon microsolvation_grouptalk.pdf — PDF document, 795 KB (814889 bytes)

Introduction to machine learning & Chemistry, or how I learned to be trendy

by Paul Clabaut, Tao Jiang, Ruben Staub (29th of November 2019)

PDF document icon Machine_learning_2019.pdf — PDF document, 10.16 MB (10651029 bytes)