Browsing by Author Waghmare, Umesh V.

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Issue DateTitleAuthor(s)
2014First principles analysis of graphene and its ability to maintain long-ranged interaction with H2SHegde, Vinay I.; Shirodkar, Sharmila N.; Tit, Nacir; Waghmare, Umesh V.; Yamani, Zain H.
2018First-principles analysis of catalysis for hydrogen evolution reactionWaghmare, Umesh V.; Dheer, Lakshay
2014-09-22; 2013First-principles analysis of functional oxides and metal organic frameworksWaghmare, Umesh V.; Hegde, Vinay Ishwar
2023-03First-principles and theoretical analysis of electronic, optical and vibrational properties in layered materialsWaghmare, Umesh V.; Dutta, Sarbajit
2013First-principles of stacking faults and deformation-induced polymorphs of metalsWaghmare, Umesh V.; Bhogra, Meha
2021First-principles phonon-spectral analysis and deformation response of MOFs: Boson Peak, amorphization and generalized flexibilityWaghmare, Umesh V.; Bhogra, Meha
2021-09First-principles prediction of catalytic activity tuned with structure, Atomic substitution and vacancies: applications to energy and environmentWaghmare, Umesh V.; Dheer, Lakshay
2014First-principles studies of surfaces of a metallic oxide : ReO3Waghmare, Umesh V.; Suchitra
2009First-principles study of one-dimensional nano-structuresWaghmare, Umesh V.; Kahaly, Mousumi Upadhyay
2016A first-principles study of pressure-induced phase transformation in a rare-earth formate frameworkBhat, Soumya S.; Li, Wei; Cheetham, Anthony K.; Waghmare, Umesh V.; Ramamurty, Upadrasta
2014First-Principles Study of Structure, Vibrational, and Elastic Properties of Stoichiometric and Calcium-Deficient HydroxyapatiteBhat, Soumya S.; Waghmare, Umesh V.; Ramamurty, Upadrasta
2015First-principles theoretical analysis of bulk and nano-scale functional materialsWaghmare, Umesh V.; Kouser, Summayya
2019First-principles theoretical analysis of phase transitions in hybrid perovskite and excitonic insulatorWaghmare, Umesh V.; Grover, Shivani
2019First-principles theoretical analysis of thermoelectric properties and electronic topological transitions in chalcogenidesWaghmare, Umesh V.; Arora, Raagya
2017First-principles theoretical prediction and analysis of materials with nontrivial electronic topologyWaghmare, Umesh V.; Pal, Koushik
2023-05First-principles theory of metavalent bonding: ferroelectric, topological and thermoelectric properties of chalcogenidesWaghmare, Umesh V.; Arora, Raagya
2010A generalized landau-theoretical analysis of defect states of order-parameter near ferroelectric phase transitionsWaghmare, Umesh V.; R, Arun
2006Geometric phases, localized orbitals and distribution of electron charge centresWaghmare, Umesh V.; Bhattacharjee, Joydeep
2016High Power Factor and Enhanced Thermoelectric Performance of SnTe-AgInTe2: Synergistic Effect of Resonance Level and Valence Band ConvergenceBanik, Ananya; Shenoy, U. Sandhya; Saha, Sujoy; Waghmare, Umesh V.; Biswas, Kanishka
2014High tunability of the work function of (001) surface of ReO3 with O-vacancies: First principles analysisSuchitra; Pan, Jaysree; Waghmare, Umesh V.