Rajesh Thakur

About

I hold a Ph.D. in Computational Material Science and have not found any attraction in strict conventional academic positions, as I find them unsatisfactory in the internet era. Instead, I am searching for a niche where I can apply my little knowledge in science effectively and develop myself through real life challenges.
Throughout my academic and professional journey, I have specialized in density functional theory (DFT) calculations, molecular dynamics, and multiscale modeling—skills that align well with the demands of this field. My research, encompassing electronic band structures, spintronic, strongly correlated systems, Non-equilibrium Green Function, and Transport has been published in reputable journals. Additionally, my coding ability in Python and Bash allows me to develop and implement computational models with efficiency.

To expand my skill set, I have been integrating AI/ML methodologies into my work, leveraging Python and its libraries, including PyTorch. I firmly believe that coding enhances the excitement and intellectual depth of computational physics.

Since completing my Ph.D., I have remained engaged in research on the potential of perovskites for the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), in collaboration with a Post Doc fellow, despite working with limited resources. Many of these calculations are computationally intensive and cannot be performed on a simple low performance computing machine.

I am eager to contribute to research and development, particularly in the computational screening of material industry, where I see immense potential for innovation. I strongly believe that the synergy of computational algorithms, materials physics, and a well-coordinated team can drive groundbreaking advancements. I am especially interested in developing algorithms to screen potential materials or design materials tailored to specific application requirements.

Employment

• Himachal Pradesh University Research Scholar
  2014 - Present

Education

• Himachal Pradesh University Ph.D
  2015 - Present
• Himachal Pradesh University M.Phil
  2013 - 2014
• Himachal Pradesh University M.Sc.
  2011 - 2013

Projects & Funding

Projects & funding information is unavailable.

Publications (15)

• Structural, electronic and dielectric properties of Tellurium 1-D nanostructures : a DFT study
  Applied Physics A: Materials Science and Processing 2022 DOI: 10.1007/s00339-021-05183-4
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• Stability and electronic properties of bilayer graphene spirals
  Physica E: Low-dimensional Systems and Nanostructures 2021
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• Stability and electronic properties of bilayer graphene spirals
  Physica E: Low-Dimensional Systems and Nanostructures 2021 DOI: 10.1016/j.physe.2021.114638
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• Twisted helical armchair graphene nanoribbons: mechanical and electronic properties
  European Physical Journal B 2021 DOI: 10.1140/epjb/s10051-021-00102-1
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• Strain modulated carrier mobility and optical properties of graphene nanowiggles
  Nanotechnology 2020 DOI: 10.1088/1361-6528/abb391
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• Electronic structure and carrier mobilities of twisted graphene helix
  Physica E: Low-dimensional Systems and Nanostructures 2020 DOI: 10.1016/j.physe.2020.114280
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• Strain controlled electronic and transport properties of Si-C atomic wire
  AIP Conference Proceedings 2019 DOI: 10.1063/1.5113213
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• Tuning of Schottky barriers in borophene/MoS2 van der Waals heterostructure by external electric field
  AIP Conference Proceedings 2019 DOI: 10.1063/1.5113201
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• Twist modulated electronic band gap & carriers mobility of graphene helical
  arXiv 2019
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• Twisted helical shaped graphene nano-ribbons: Role of symmetries and passivation
  arXiv 2019
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