Seminar by Jacob Javartin: Atomic-scale Simulation for the Analysis, Optimization and Accelerated Materials Development: Organic Semiconductors

Computational Physics Group

Xmas_MSS

Dr. Jacob Gavartin from Schrodinger Inc., Cambridge, UK will give a physics seminar on Wednesday 3rd of February 3 pm (room MB3203 in the Minerva Building, no 1 on the university map). His presentation will be on a multi-scale simulation approach in material research. Please join us in attending. The title and abstract are

Atomic-scale Simulation for the Analysis, Optimization and Accelerated Materials Development: Organic Semiconductors

Rapid advancements in quantum theory, computer science and computational power brought about tremendous developments in materials research. Yet the impact of modelling in industrial R&D is somewhat hindered by unclear connection between calculated and experimental parameters, complexity of the calculations and tedious analysis. Towards the resolution of these problems we discuss how a combination of combinatorial chemistry, quantum chemistry and automated calculation workflows provide the basis for rational materials design via virtual screening of molecular materials. The multiscale simulation approach implemented in Schrödinger’s…

View original post 125 more words

Leave a Reply

Fill in your details below or click an icon to log in:

WordPress.com Logo

You are commenting using your WordPress.com account. Log Out / Change )

Twitter picture

You are commenting using your Twitter account. Log Out / Change )

Facebook photo

You are commenting using your Facebook account. Log Out / Change )

Google+ photo

You are commenting using your Google+ account. Log Out / Change )

Connecting to %s

© School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln, LN6 7TS, United Kingdom
%d bloggers like this: