3 papers
cond-mat.mtrl-sci2021
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…
cs.CL2020
MatScIE: An automated tool for the generation of databases of methods and parameters used in the computational materials science literature
Souradip Guha, Ankan Mullick, Jatin Agrawal +5
The number of published articles in the field of materials science is growing rapidly every year. This comparatively unstructured data source, which contains a large amount of info…
cond-mat.mtrl-sci2019
Scaling relation for the adsorption energies at bimetallic magnetic surfaces: Role of surface magnetic moment and work-function
Swetarekha Ram, Seung-Cheol Lee, Satadeep Bhattacharjee
The scaling relationships between the adsorption energies of different reaction intermediates have a tremendous effect in the field of surface science, particularly in predicting n…