SM
Sagarmoy Mandal
Purdue University West Lafayette, University of Erlangen-Nuremberg, Indian Institute of Technology Kanpur, University of Calcutta
0000-0002-4674-6583
Employment
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Purdue University West Lafayette Postdoctoral scholar2022 - Present
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University of Erlangen-Nuremberg Postdoctoral Scholar2020 - 2022
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University of Erlangen-Nuremberg Visiting Research Scholar2020 - 2020
Education
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Indian Institute of Technology Kanpur Ph.D.2014 - 2020
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Indian Institute of Technology Kanpur M.Sc.2012 - 2014
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University of Calcutta B.Sc.2009 - 2012
Projects & Funding
Projects & funding information is unavailable.
Publications (18)
- Molecular insights into the water dissociation and proton dynamics at the β-TaON (100)/water interface Save
- Pressure induced structural and electronic band transition in CsPbBr3 Save
- Dimensionality Engineering of Lead Organic Chalcogenide Semiconductors Save
- Speeding-up Hybrid Functional-Based Ab Initio Molecular Dynamics Using Multiple Time-stepping and Resonance-Free Thermostat Save
- Factors Controlling Intercalation of Metal Atoms into WS2: Implications for Electronically Tunable Semiconductors Save
- Speeding-up Hybrid Functional based Ab Initio Molecular Dynamics using Multiple Time-stepping and Resonance Free Thermostat Save
- Hybrid Functional and Plane Waves based Ab Initio Molecular Dynamics Study of the Aqueous Fe 2+ /Fe 3+ Redox Reaction** Save
- Improving the scaling and performance of multiple time stepping‐based molecular dynamics with hybrid density functionals Save
- Hybrid Functional and Plane Waves based Ab Initio Molecular Dynamics Study of the Aqueous Fe2+/Fe3+ Redox Reaction Save
- Achieving an Order of Magnitude Speedup in Hybrid-Functional- and Plane-Wave-Based Ab Initio Molecular Dynamics: Applications to Proton-Transfer Reactions in Enzymes and in Solution Save