[Eoas-seminar] [Seminar-announce] Scientific Computing Seminar with Phanish Suryanarayana [In-person]

[eoas-seminar at lists.fsu.edu]

"Advancing Density Functional Theory: Formulations, Boundary Conditions, and Machine Learning"

Phanish Suryanarayana
Department of Civil and Environmental Engineering, Georgia Tech

Please feel free to forward/share this invitation with other groups/disciplines that might be interested in this talk/topic. All are welcome to attend.

NOTE: In-person attendance is REQUIRED in our 499 Dirac Science Library (DSL) Seminar Room.


Friday, Oct. 30, 2026, Schedule:


  *
3:00 to 4:30 PM Eastern Time (US and Canada)
     *
🕟 Seminar - 499 DSL Seminar Room


Abstract:
Over the past few decades, Kohn–Sham density functional theory (DFT) has become a cornerstone of materials and chemical sciences research by virtue of the predictive power and fundamental insights it provides. However, such calculations are computationally expensive and the boundary conditions imposed are often ill-suited to the system of interest. The speaker will discuss efforts to overcome these limitations across three thrusts: scalable formulations of DFT, novel boundary condition formalisms, and the use of machine-learning techniques. The speaker will also discuss the applications enabled by these developments, ranging from nanoscience and surface science to warm dense matter.

Additional seminar details can be found here:
https://www.sc.fsu.edu/news-and-events/colloquium/seminar-with-phanish-suryanarayana-2026-10-30<https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.sc.fsu.edu%2Fnews-and-events%2Fcolloquium%2Fseminar-with-phanish-suryanarayana-2026-10-30&data=05%7C02%7Csc-seminar-announce%40lists.fsu.edu%7C46711a96b75541aae0d808df35d33feb%7Ca36450ebdb0642a78d1b026719f701e3%7C0%7C0%7C639288855051214276%7CUnknown%7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ%3D%3D%7C0%7C%7C%7C&sdata=%2Bccj%2FcMVF0aHjZFNS7YgRqpQeQt8tlDbMngdfYmHc3g%3D&reserved=0>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.fsu.edu/pipermail/eoas-seminar/attachments/20261029/1478de7e/attachment-0001.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: text/calendar
Size: 3853 bytes
Desc: not available
URL: <http://lists.fsu.edu/pipermail/eoas-seminar/attachments/20261029/1478de7e/attachment-0001.ics>
-------------- next part --------------
_______________________________________________
SC-Seminar-announce mailing list
SC-Seminar-announce at lists.fsu.edu
https://lists.fsu.edu/mailman/listinfo/sc-seminar-announce