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.

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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