Copyright © 2017 University of Notre Dame

CSE Laboratory 372 Fitzpatrick Hall, Notre Dame, IN 46556, USA

Phone 574-631-2429

Contact us

Accessibility Information

Please reload

How certain are we of the accuracy of DFT simulations? In this project we try to provide an answer through a framework to quantify the uncertainty in DFT XC functional.

Figure 1 (Top) Magnitude of the coefficients obtained using a RVM for the determination of the hyperp...

What confidence can we have in alloy property calculations when we use surrogate models? In this project, we develop a Bayesian UQ framework to quantify and propagate the uncertainty when using the Cluster Expansion model.


New technological advances require...

March 14, 2017

Stayed tuned as we will update more about our current research in the coming weeks.

March 14, 2017

Intro to DGP and everything...

Please reload

Please reload

Recent Posts
Search By Tags
Featured Posts

Our new website is launched today.

March 14, 2017

Please reload