Seminar usually takes place on Thursdays at 10:40 in our lesture room 10th floor in Trója, V Holešovičkách 2, Praha 8
Past seminars:
February 23, 2023
Autodetachment Spectroscopy of the Metastable D2- and HD-
Martin Čížek
UTF MFF UK
I will review the history of the long-lived H2- states from both theoretical and experimental perspective and show what we learned from the results of the recent electron spectroscopy of these states performed using VMI technique by the group of Xavier Urabin.
March 9, 2023
Brave new world of ultracold plasma
Michal Hejduk
MFF UK
March 16, 2023
Electron energy loss spectroscopy of liquid microjet.
Pamir Nag
J. Heyrovsky Institute of Physical Chemistry
...
April 6, 2023
Building robust neural network potentials with active learning
Ondřej Maršálek
Institute of Physicics, Charles University.
Machine learning potentials, and neural network potentials specifically, have recently become an enticing way to decrease the computational cost of ab initio simulations. They allow an increase of the length and time scales of simulations by several orders of magnitude while maintaining the accuracy of the ab initio method that they replace. The development of such a potential requires the construction of an appropriate training data set, though, a process that has traditionally been rather tedious and error prone. In this
talk, we will introduce an active learning approach that yields robust training sets and associated models while minimizing the need for human intervention and tweaking. We will show how these training sets give rise to models that enable simulations at ab initio accuracy on scales that were previously unavailable. We will also show how in certain cases, we can avoid the need for a reference ab initio trajectory entirely, relying only on a relatively low number of single-point calculations. Finally, we will discuss some promising directions for current and near-future research.
April 27, 2023
From Galois theory to low-energy collisions.
Roman Čurík
J. Heyrovsky Institute of Physical Chemistry
...
May 11, 2023
Escape rate problem in driven Josephson junctions.
Tomáš Novotný
Department of Condensed Matter Physics, MFF UK
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May 18, 2023
Production of spin and orbital angular momentum in helical molecular wires.
Richard Korytár
Department of Condensed Matter Physics, MFF UK
...
May 25, 2023
Multiple scattering calculations of photoelectron spectra of small water clusters.