Scientific Achievements
Scientific Software
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Publications
ChemOntology : A reusable explicit chemical ontology-based method to expedite reaction path searches
P. Nath*, Y. Ono, Y. Harabuchi, Y. Yamamoto, S. Maeda, T. Taketsugu, M. Yoshioka*
ACS Catalysis, 16(3), 2026, pp. 2105-2118
Facile Single-Step Synthesis of PVP-Stabilized Ru NPs for Electrochemical Hydrogen Generation
Rahul Bhise, Riddhi Kadrekar, Priti Singh, Nagapradeep Nidamanuri, Priyamvada Arte, Pinku Nath, Yu Wang, Arif D. Sheikh, Mudit Dixit, Sushant P. Sahu*
Energy & Fuels, vol. 39(43), 2025, pp. 20896–20907
Graphene-Boron Nitride-Transition Metal Dichalcogenides Heterostructure Based MISFET
S. Rahi, R. Kumar, S. Singh, P. Misra, G. Patil, T. Lenka, A. Solanki, A. Chauhan, B. Raj, P. Nath, S. Choudhary
MICRO AND NANOSTRUCTURES, vol. 208(208320), 2025
Adolfo E. Rosado-Miranda, Victor Posligua, Javier Fdez. Sanz, Antonio M. Márquez, Pinku Nath*, Jose J. Plata*
ACS Applied Materials & Interfaces, vol. 16(22), 2024, pp. 28590-28598
Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory
Ernesto J. Blancas, Alvaro Lobato, Fernando Izquierdo-Ruiz, Antonio M. M´arquez, J. Manuel Recio, Pinku Nath, Jos´ e J. Plata, Alberto Otero-de-la-Roza
Npj Comput. Mater., vol. 10(267), 2024, p. 1
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Projects
Ultra High Temperature materials
Designing UHT materials for power plants, turbine engines, and aerospace industries.
Finite Element Method and continuum elasticity
Multiscale modeling: QM + Continuum Elasticity + Structural Mechanics
Courses
Solving various simple ODEs and, preliminary quantum mechanical problems, and basic statistics.
Introduction to artificial intelligence
Machine learning, Natural Language processing, algorithm design.
Introduction to group theory for chemists
Symmetry elements, operations, and their basic properties, point groups, reducible and irreducible represents, vibrational spectroscopy.
Introduction to Finite Element Method
Classification of differential operators, self-adjoint positive definite operators, weighted residual methods, the Rayleigh–Ritz method, solving ODEs using FEM.