DPG Phi
Verhandlungen
Verhandlungen
DPG

Berlin 2024 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 111: Heterogeneous Catalysis II

Freitag, 22. März 2024, 10:30–12:30, TC 006

10:30 O 111.1 Fast Screening of Metal Alloys for CO2 Activation by Ab initio Calculations and Local AI Rules — •Herzain I. Rivera-Arrieta, Matthias Scheffler, and Lucas Foppa
10:45 O 111.2 Ni-In Synergy in CO2 Hydrogenation to Methanol Explained by Microkinetic Models — •Francesco Cannizzaro, Bart Klumpers, Ivo A. W. Filot, and Emiel J. M. Hensen
11:00 O 111.3 Systematic evaluation of trends in CO2 reduction on metal–nitrogen–carbon systems from first principles — •Sze-Chun Tsang, Sihang Liu, and Georg Kastlunger
11:15 O 111.4 High-throughput catalyst screening for CO2 to methanol conversion with machine-learned force-fields — •Ondřej Krejčí, Prajwal Pisal, and Patrick Rinke
11:30 O 111.5 Exploring Unsupervised Learning for Analysis of Adsorption Energy Distributions in CO2 to Methanol Synthesis — •Prajwal Pisal, Ondrej Krejci, and Patrick Rinke
  11:45 O 111.6 The contribution has been withdrawn.
  12:00 O 111.7 The contribution has been withdrawn.
12:15 O 111.8 Accelerating Catalyst Discovery through Efficient Exploration of a Complex Design Space — •Charles W.P. Pare, Christian Kunkel, Frederic Felsen, Frederik Rüther, Sina Stocker, Robert Baumgarten, Esteban Gioria, Raoul Naumann d’Alnoncourt, Christoph Scheurer, Frank Rosowski, and Karsten Reuter
100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2024 > Berlin