Browsing by Author Waghmare, Umesh V.

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Issue DateTitleAuthor(s)
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.
2016High-temperature large-gap quantum anomalous Hall insulating state in ultrathin double perovskite filmsBaidya, Santu; Waghmare, Umesh V.; Paramekanti, Arun; Saha-Dasgupta, Tanusri
2016An improved d-band model of the catalytic activity of magnetic transition metal surfacesBhattacharjee, Satadeep; Waghmare, Umesh V.; Lee, Seung-Cheol
2014Improved Photoelectrochemical Water Splitting Performance of Cu2O/SrTiO3 Heterojunction PhotoelectrodeSharma, Dipika; Upadhyay, Sumant; Satsangi, Vibha R.; Shrivastav, Rohit; Waghmare, Umesh V.; Dass, Sahab
2018Influence of solutes on the planar faults in Ni-based superalloys : A firstprinciples studyWaghmare, Umesh V.; Kumar, Kaushlendra
2018Machine learning and dimensional analysis assisted predictive modelsWaghmare, Umesh V.; Kumar, Narendra
2011Mechanical Behavior of Ni-based superalloys having γ/γ’ Interface: A first-principles studyWaghmare, Umesh V.; Kumar, Kaushlendra
2009Modelling and Simulations of Structures and Structural TransitionsNarasimhan, Shobhana; Waghmare, Umesh V.; Paul, Jaita
2016Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3 with a Semi-Empirical Effective HamiltonianNishimatsu, Takeshi; Gruenebohm, Anna; Waghmare, Umesh V.; Kubo, Momoji
2016Nanostructured BaTiO3/Cu2O heterojunction with improved photoelectrochemical activity for H-2 evolution: Experimental and first-principles analysisSharma, Dipika; Upadhyay, Surnant; Satsangi, Vibha R.; Shrivastav, Rohit; Waghmare, Umesh V.; Dass, Sahab
2014The nature of the structural phase transition from the hexagonal (4H) phase to the cubic (3C) phase of silverChakraborty, Indrani; Shirodkar, Sharmila N.; Gohil, Smita; Waghmare, Umesh V.; Ayyub, Pushan
2016NH3 adsorption on PtM (Fe, Co, Ni) surfaces: Cooperating effects of charge transfer, magnetic ordering and lattice strainBhattacharjee, Satadeep; Yoo, S. J.; Waghmare, Umesh V.; Lee, S. C.