Highlights/News


Recent Media coverages with interviews:

1.WVU press release on the DoD grant

2. WVU press release on the NSF grant


Research Funding Support from NSF (as PI):

 The group received an NSF award of ~$300,000 (~$600K total to the team) to build cyberinfrastructure for data science-driven materials discovery with quantum materials. This is a collaborative work between WVU, Rutgers University, and NIST. Here is the link to the publicly available abstract for the project. Click here for the WVU press release. 

Research Funding Support from DoD (as PI):

The group is awarded funding of a total of $598,000 to perform collaborative research. Thanks to DoD's Air Force Office of Scientific Research to fund our research. 

Here is the press release from the DoD. 

Press release from WVU on our DoD grant


Funding in Computer allocations (as PI/Co-PI)

1. NSF-Frontera (2023): Each year ~150K node-hours

2. NSF-Frontera (2019-2021): Each year ~1.3 M node-hours + travel grant through NSF Leadership Computing

3. NSF-XSEDE(2019-2021): Each year ~1.5 M core-hours

4. DOE-BNL(2019-2021): Each year ~1.0 M core-hours

Experimental verifications of our work: 


1. Are simple metals really simple? We wanted to answer this question. We investigated this with textbook example systems like elemental alkali and alkaline-earth metals using various beyond-DFT methods. While our paper was on arXiv, an independent experiment performed by Potorochin et al. appeared on arXiv:2112.00422  for the elemental Sodium (Na) system. The measured bandwidth for Na now matches even more with DFT+DMFT prediction compared to the experiment performed in 1988. Our paper is published in npj computational materials, 8, 181, (2022).    

2. Enhancement of Electron-phonon coupling due to electron correlation:

A recent experiment by Gerber et al. Science 357, 71-75 (2017) has verified our work by measuring the deformation potential or the strength of electron-phonon coupling in the presence of strong electron correlation in FeSe.  

3. Wang et al.  PHYSICAL REVIEW B 90, 144513 (2014)  has confirmed our prediction that the electron correlation can be suppressed in the collapse tetragonal phase of CaFe2As2.  

Highlights of our research/ recent media coverage with interviews: