Hi, I am Mukesh Singh. I have completed a Bachelor of Science from Deen Dayal Upadhyay Gorakhpur University, Gorakhpur, and a Master of Science from Delhi University. My interest lies in the arena of theoretical physics inclined toward computation approach. Hence, I am working on my doctoral work in computational condensed matter physics with Prof. Alok Shukla and Prof. Brahmananda Chakraborty. In my Ph.D. work, I am working on the following topics:
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(1) Material modeling: Designing of novel material using the ab initio method.
(1) Material modeling: Designing of novel material using the ab initio method.
(2) Hydrogen economy:
(2) Hydrogen economy:
(a) Hydrogen production: Searching for a suitable catalyst to produce hydrogen using lower over-potential (low energy).
(a) Hydrogen production: Searching for a suitable catalyst to produce hydrogen using lower over-potential (low energy).
(b) Hydrogen storage: Searching for a suitable 2D material with high gravimetric weight.
(b) Hydrogen storage: Searching for a suitable 2D material with high gravimetric weight.
(3) Quantum dots: Understanding the stability and electronic, optical properties of q-dots.
(3) Quantum dots: Understanding the stability and electronic, optical properties of q-dots.
(4) Thermal conductivity and thermoelectricity: Calculation of thermal conductivity by solving the phonon Boltzman equation (Phono3py, ShengBTE) along with solving the electronic Boltzman equation (Boltztrap) to determine thermoelectric properties.
(4) Thermal conductivity and thermoelectricity: Calculation of thermal conductivity by solving the phonon Boltzman equation (Phono3py, ShengBTE) along with solving the electronic Boltzman equation (Boltztrap) to determine thermoelectric properties.
Technical skills
Programming Language and scripting: Python, Jupyter Notebook, Fortran, Bash, awk, sed, C, foundation of machine learning.
Material modeling Python libraries: ase, pymatgen
DFT codes: VASP, Gaussian, Quantum Espresso,
Other utility codes: Phonopy, Phono3py, ShengBTE/almaBTE, Boltztrap2
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