HPC Training Series - Course 8 "Computational chemistry and High Performance Computing (HPC)"
Monday, 9 December 2024 -
10:00
Monday, 9 December 2024
10:00
Introduction: EuroCC@Greece
-
Pavlos Sermpezis
(AUTH)
Introduction: EuroCC@Greece
Pavlos Sermpezis
(AUTH)
10:00 - 10:15
10:15
Introduction to AUTH’s HPC infrastructure “Aristotelis”
-
Paschalis Korosoglou
(AUTH)
Introduction to AUTH’s HPC infrastructure “Aristotelis”
Paschalis Korosoglou
(AUTH)
10:15 - 10:45
10:45
Charge Transfer Unveiled: An Exciting Journey Through TD-DFT
-
Emmanuel Koukaras
(AUTH)
Charge Transfer Unveiled: An Exciting Journey Through TD-DFT
Emmanuel Koukaras
(AUTH)
10:45 - 11:45
11:45
Machine Learning in chemistry for everyone: A practical guide for quick development of predictive models
-
Georgios Fanourgakis
(AUTH)
Machine Learning in chemistry for everyone: A practical guide for quick development of predictive models
Georgios Fanourgakis
(AUTH)
11:45 - 12:15
12:15
Questions / Open discussion
Questions / Open discussion
12:15 - 12:30