David Glowacki

scientist, artist, cultural theorist

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Monthly Archives: June 2019

Narupa builder prototype

Posted on June 14, 2019 by David R Glowacki

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Stay tuned, the IRL have just released a prototype for a molecular builder, the latest addition to the open-source Narupa family! Features are being actively developed right now… if you have ideas or features you’d like to see (or bugs to report) let us know via the GitLab issue repository!

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Training neural nets using data harvested in virtual reality

Posted on June 14, 2019 by David R Glowacki

The Journal of Physical Chemistry A

New open-access paper from the IRL showing how interactive quantum chemistry in VR can be used to efficiently train Neural Nets to learn potential energy functions. As an ‘Editor’s Choice’ paper, it was featured on the cover, and is already one of the journal’s most read papers.

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Open-access Narupa paper

Posted on June 14, 2019 by David R Glowacki

 

jcp.2019.150.issue-22.cover1

finally! an open-access paper describing our open-source iMD-VR framework Narupa has been published as in J Chem Phys , and it’s been selected as the “Editor’s Pick featured article”. It’s also scheduled to appear on the journal’s cover, featuring an image made by IRL PhD student Alexander Jamieson-Binnie.

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