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Posters
The poster session of the ScotChem 2020 Computational Chemistry Virtual Symposium will be run on Twitter from Monday 24th August until the end of the webinar on Wednesday the 26th August.
Engagement is encouraged via Twitter's interactive features, please use the #ScotCHEM2020 hashtag on all tweets and remember to observe normal symposium etiquette.
There will be two prizes for the best posters, a viewers choice (judged by the number of likes and retweets on each poster) as well as a judges choice winner. The prizes will be unveiled on the day of the conference.
More information for conference attendees and poster presenters is available here.
If you are presenting a poster, please tweet it by: 5 pm Sunday 23rd August 2020.
Submissions:
Beyond Tripeptides
Alexander van Teijlingen - University of Strathclyde
Towards computational modeling of ligand binding to a G-quadruplex through free-energy MD simulations
Xiaotong Zhang - University of St. Andrews
High-Throughput Computational Screenning of Anode Coatings for Garnet-type Solid-State Batteries
Chencheng Liu - University of St. Andrews
First-Principles Solubility Computation for Pharmaceuticals Can Rival Informatics
Dan Fowles - University of Strathclyde
Electronic Transport through DNA Nucleotides in a BC3 Nanogap for Rapid DNA Sequencing
Rameshwar L. Kumawat - Indian Institute of Technology Indore
Molecules of biological interest: Insights from the IGM analysis
Dr. Hassan Khartabil - University of Reims Champagne-Ardenne
Benzylic C-H functionalisation by [Et3SiH + KOtBu] leads to radical rearrangements in o-tolylaryl ethers, amines and sulfides
Krystian Kolodziejczak - University of Strathclyde
Machine Learning Predictions for the Second Solubility Challenge
Jonathan Conn - University of Strathclyde
13C chemical shifts of copper dimer models for MOFs loaded with different guests
Zhipeng Ke - University of St. Andrews
Computational Insights into the Catalytic Mechanism of the Enzyme PETase
Eugene S-Phoenix - University of St. Andrews
Bridge: An ab initio random structure searching approach to the discovery of experimentally accessible zeolite frameworks
Dr. Dave McKay - University of St. Andrews
CONNECT THE DOTS: IN SILICO PREDICTION OF HETEROGENEOUS REACTION MECHANISMS
Idil A Ismail - University of Warwick
Implementation and Validation of the QuBe Force Field in Sire MD Framework
Sofia Bariami - University of Edinburgh