206 citations · 819 across the 79 of their papers we have counts for
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Identifying the critical surface descriptors responsible for the appearance of negative slopes in the adsorption energy scaling relationships
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
Adsorption energy scaling relationships have now developed beyond their original form, which was more targeted towards the optimization of catalytic sites and the reduction of comp…
Probing Photo-excited Charge Carrier Trapping and Defect Formation in Synergistic Doping of SrTiO3
Namitha Anna Koshi, Dharmapura H K Murthy, Sudip Chakraborty +2
Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to…
CrysXPP:An Explainable Property Predictor for Crystalline Materials
Kishalay Das, Bidisha Samanta, Pawan Goyal +3
We present a deep-learning framework, CrysXPP, to allow rapid prediction of electronic, magnetic and elastic properties of a wide range of materials with reasonable precision. Alth…
Role of chemical disorder in tuning the Weyl points in vanadium doped CoTiSn
Payal Chaudhary, Krishna Kant Dubey, Gaurav K. Shukla +8
The lack of time-reversal symmetry and Weyl fermions give exotic transport properties to Co-based Heusler alloys. In the present study, we have investigated the role of chemical di…