About
- Artificial force-induced reaction, AFIR is a computational methodology developed within ICReDD which is used to study various types of chemical reactions. This process generates a large number of data. These generated data are saved into a database. The information contained in this database needs to be transformed and classified into an intelligible form so that it can be used in the process of decision-making. Ontology is a branch of computer science that deals with transforming information into knowledge. I am developing the software named ONTOAFIR (Ontology+AFIR) that will allow us to extract knowledge from the reaction database.
- Primary developer of LiCA: LiCA is a Iithium-ion cluster analysis software mostly written in python. It allows to analysis dynamics of Li-ions within solid electrolytes.
- Primary developer of AQHA : It is a python wrapped C++ based ab-initio High-throughput software. An objective of developing this code is to accelerate the discovery of ultra-high temperature materials. It will soon be available with a GPL license.
- A developer of AFLOW (Automatic FLOW for Materials Discovery) .
- Primary developer of kMC-Heteroepitaxy code: It is an Open-MPI implemented C-code and allows to study surface morphology of heteroepitaxially grown thin films.
- Specially Appointed Assistant Professor, ICReDD [2022(8)-current]
- Research Associate, Basque Center for Applied Mathematics, Bilbao, Spain [2022(3)-2022(7)]
- Assistant Professor, Lovely Professional University, Phagwara, Punjab, India [2019-21]
- Postdoctoral Associate, Pratt School of Engineering, Duke University, NC, USA [2014-19]
- Ph.D, IIT-Kanpur, India [2006-14], [Thesis]
- M. Sc, IIT-Guwahati, India [2004-06]
Other Research Areas:
- Developing Green's Function based methodologies to study defects and transport properties
- Developing efficient methodologies to solve quantum mechanical equations with wavelets
Publications
In silico modelling of inorganic thermoelectric materials,
José J. Plata, Pinku Nath, Javier Fdez Sanz, Antonio M. Marquez
Comprehensive Inorganic Chemistry III, Elsevier, 2022
High-Throughput Screening of the Thermoelastic Properties of Ultrahigh-Temperature Ceramics
Pinku Nath, Jose J. Plata*, Julia Santana-Andreo, Ernesto J. Blancas, Antonio M. Márquez, and, Javier Fernández Sanz
ACS Appl. Mater. Interfaces, vol. 13(25), 2021, pp. 29843–29857
Aman Singh, Jaydip Chandrakant Mehta, Divya Anand, Pinku Nath, Babita Pandey, Aditya Khamparia
Expert Systems, vol. 38, 2020, pp. 1-13
Aman Singh, Pinku Nath, Vivek Singhal, Divya Anand, Kavita; Sahil Verma, Tzung-Pei Hong
IEEE Access, vol. 8, 2020, pp. 138470-138480
Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces
J. Roy Choudhuri, Pinku Nath
Surfaces and Interfaces, vol. 21, 2020, p. 100628
View all
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.
