Hannes Kneiding is a first year PhD Candidate at the Hylleraas Centre of Excellence, Department of Chemistry, UiO. He is also part of the CompSci doctoral program. His academic background is mostly computational physics with a focus on machine learning. At UiO, he is investigating predictive machine learning methods for specific classes of molecules based on data from quantum chemistry calculations.
At this seminar, Kneiding will introduce the general framework for graph learning in the context of quantum chemistry. He will discuss the data, representation and model aspects for the special case of transition metal complexes and close with some results on the tmQMg dataset.
Program
11:30 – Doors open and lunch is served
12:00 – "Graph Representation Learning for Transition Metal Complexes" by Hannes Kneiding (PhD Candidate, Department of Chemistry, UiO)
This event is open for all PhD candidates and postdocs. No registration needed.
About the seminar series
Once a month, dScience will invite you to join us for lunch, soft drinks and professional talks at the Science Library. In addition to these, we will serve lunch to PhD candidates in our lounge in Kristine Bonnevies hus every Thursday. Due to limited space (40 people), this will be first come, first served. See how to find us here (download).
Our lounge can also be booked by PhDs and Postdocs on a regular basis, whether it is for a meeting or just to hang out – we have fresh coffee all day long! Read more about the seminar series here.