The Scientific Executive of WATOC 2020 is pleased to announce the ten winners of the poster competition:
Dario Barreiro-Lage, Autonomous University of Madrid, Spain
An Alternative Origin for O2(+) Production from Photoionized CO2 Clusters in Planetary Atmospheres
Katja Sophia Czisi, ETH Zürich, Switzerland
Dioxygen Activation in Rieske Dioxygenases: A Model Study Towards Automated QM/MM Protocols
Maxime Ferrer, CSIC – IQM, Spain
5,10-Disubstituted Dibenzoazaborinines and Dibenzophosphaborines Used as Cyclic Support of Frustrated Lewis Pairs for the Capture of CO2
Simone Gallarati, EPFL, Switzerland
OSCAR: Organic Structures for Catalysis and AI Repository
Sandra Gómez, University College London, UK
Probing Non-adiabatic Dynamics using Quantics
Inigo Iribarren, Trinity College Dublin, Ireland
Exploring the Conformational Space within Phase Transfer Catalysts: Computational Methods Benchmarking
Manjinder Kour, Montana State University, USA
Development of Atomic-Scale Models for Low Temperature Pyrite Reduction Reactions
Maximillian Mörchen, ETH Zurich, Switzerland
Streamlined Automatic Active Space Calculations through AutoCAS
Sergio Peréz Tabero, Autonomous University of Madrid, Spain
Theoretical Study of Triazole-containing Pesticides and Their Protonated Forms
Viki Kumar Prasad, University of British Columbia, Canada
Development of Atom-centered Potentials for Efficient and Accurate Electronic Structure Modeling of Large Molecular Systems
The poster prizes were sponsored by PeerJ. Each winner is entitled to a free publication in a PeerJ journal (subject to peer review) and a feature about their research on the PeerJ blog site.
The winners were selected on the basis of the posters receiving the highest percentage of votes cast during the three poster sessions.