Tilak Das
Indian Institute of Technology Kharagpur, Università degli Studi di Milano-Bicocca, University of Nantes, Indian Institute of Technology Madras
0000-0002-9593-7888
About
• Interest in applications and development of the first-principles exchange-correlation functionals applied for the electronic and optical properties calculations for solids at ambient and extreme conditions.
• Physical and physiochemical properties of solids at DFT, post-DFT hybrid functional level calculations as well as solving two-particles GW-BSE calculation for bulk or Quasi-2D solids: Excitons and Trions.
• Experiences on the solid-solid, solid-gas, and solid-molecular interfaces studied from solvation-energy correct DFT tools implementation and applications in plane-wave approach: Proposition of Redox align- ment via materials modelling.
• Expertise on catalysis devoted to CO2 reduction and or gas sensing, and searching eco-friendly energy resources from first-principles calculations.
• Tuning electronic and magnetism in bulk and their ultra-thin films of oxides and 2D solids through mechanical strain and or external pressure: Spin-state transitions and spintronics.
• Phonons, anharmonic effects, and Gibbs free energy calculations: Understanding structural stability and properties at the extreme conditions of pressure and temperature.
• Single-atom catalysis: Applications and role of the external perturbation on the nature of the atom adsorption and penetration on supported 2D layers.
• Preparation of high quality graphics for presentation of scientific results, data analysis and manuscript writing.
• Interest on materials modelling from computational materials science and software technical skills and as well as being part of academic teaching in basic sciences.
Employment
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Indian Institute of Technology Kharagpur Ramanujan Fellow (Asst. Professor/Scientist D)2022 - Present
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Università degli Studi di Milano-Bicocca Senior Researcher A22018 - 2022
Education
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University of Nantes PhD [Supervisors: Prof. Xavier Rocquefelte & Prof. Stéphane Jobic]2009 - 2012
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Indian Institute of Technology Madras M.Sc. Hons. in Physics2007 - 2009
Projects & Funding
Projects & funding information is unavailable.
Publications (36)
- Spin-orbital effects on the rationalization of quantum-confinement in few quasi-2D metal-dichalcogenides 2H-MX 2 (M = Mo, W; X = S, Se, Te) Save
- A study comparing the impact of Hubbard U-driven d–d electron correlation in density functional theory on the structural and physical properties of Mn3+ and Mn4+ manganites Save
- Magnetostrictronics: an example case of bulk L10-MnPt from first-principles calculations Save
- A comparative first-principles magnetic ground states study in pristine and reduced LaMnO3-x ($$0.0\le x\le 0.04$$): Role of magnetic quasi-particles Save
- First-principles insights into hyperfine parameters in the pristine and Ta-probed monoclinic hafnia Save
- Large magnetocrystalline anisotropic energy and its impact on magnetostriction of L10-FePt Save
- Combined 3d-4f Magnetic Interactions to Manipulate Long-range Ferromagnetism in Monoclinic Double Perovskites Gd-substituted Sm2-xGdxCoMnO6 (x =0.0, 0.5, 1.0, 1.5) Save
- Crosstalk between lattice-spin electron dynamics at spin textures and across multiple magnetic-electronic phases in La1−xSrxMnO3 ( x=0.125 , 0.175) Save
- Exploring spin multiplicity in MoS2 Save
- Honeycomb layered oxide as cathodic material for Li- and post-Li batteries: A self-consistent PBE + U study of metal ions (A = Li, Ca, Al) intercalation in bulk SrRu2O6 Save