Publications

Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials

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

ChemRxiv, xx(xx), 2024, pp. xx

High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites

Julia Santana-Andreo, Antonio M. Márquez, Jose J. Plata, Ernesto J. Blancas, José-Luis González-Sánchez, Javier Fdez. Sanz, Pinku Nath*

ACS Applied Materials & Interfaces, vol. 16(4), 2024

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

An intelligent hybrid approach for hepatitis disease diagnosis: Combining enhanced k-means clustering and improved ensemble learning

Aman Singh, Jaydip Chandrakant Mehta, Divya Anand, Pinku Nath, Babita Pandey, Aditya Khamparia

Expert Systems, vol. 38, 2020, pp. 1-13

A New Clinical Spectrum for the Assessment of Nonalcoholic Fatty Liver Disease Using Intelligent Methods

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

Application of carbon-based smart nanocomposites for hydrogen production: current progress, challenges, and prospects

K. S. Maan, A. Sharma, Pinku Nath, Dai-Viet N. Vo, Hoang Thu Ha, T. D. Minh

Sonil Nanda, Dai-Viet Vo, Phuong Nguyen-Tri, New Dimensions in Production and Utilization of Hydrogen, 1st Edition , Elsevier, 2020

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Pinku Nath, Demet Usanmaz, David Hicks, Corey Oses, Marco Fornari, Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo

Phys. Rev. Materials, vol. 3, 2019, p. 073801

The AFLOW Fleet for Materials Discovery

Cormac Toher, Corey Oses, David Hicks, Eric Gossett, Frisco Rose, Pinku Nath, Demet Usanmaz, Denise C. Ford, Eric Perim, Camilo E. Calderon, Jose J. Plata, Yoav Lederer, Michal Jahnátek, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kevin Rasch, Roman V. Chepulskii, Richard H. TaylorGeena Gomez, Harvey Shi, Andrew R. SupkaRabih Al Rahal Al Orabi, Priya GopalFrank T. Cerasoli, Laalitha Liyanage, Haihang WangIlaria Siloi, Luis A. Agapito, Chandramouli Nyshadham, Gus L. W Hart, Jesús Carrete, Fleur Legrain, Natalio Mingo, Eva Zurek, Olexandr Isayev, Alexander Tropsha, Stefano Sanvito, Robert M. HansonIchiro Takeuchi, Michael J. MehlAleksey N. Kolmogorov, Kesong Yang, Pino D’Amico, Arrigo CalzolariMarcio Costa, Riccardo De Gennaro, Marco Buongiorno Nardelli, Marco FornariOhad Levy, Stefano Curtarolo

Wanda Andreoni, Sidney Yip, Handbook of Materials Modeling Methods: Theory and Modeling, Springer, 2018, pp. 1-28

Spinodal Superlattices of Topological Insulators

Demet Usanmaz, Pinku Nath, Cormac Toher, Jose Javier Plata, Rico Friedrich, Marco Fornari, Marco Buongiorno Nardelli, Stefano Curtarolo

Chem. Mater., vol. 30(7), 2018, pp. 2331–2340

An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW-AAPL Automatic Anharmonic Phonon Library

Jose J. Plata, Pinku Nath, Demet Usanmaz, Jesús Carrete, Cormac Toher, Maarten de Jong, Marco Fornari Mark Asta, Marco Buongiorno Nardelli, Stefano Curtarolo

NPJ Comput. Mater., vol. 3(45), 2017, pp. 1-10

High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity

Pinku Nath, Jose J. Plata, Demet Usanmaz, CormacToher, Marco Fornari, Marco Buongiorno Nardelli, Stefano Curtarolo

Scripta Materialia, vol. 129, 2017, pp. 88-93

First principles thermodynamical modeling of the binodal and spinodal curves in lead chalcogenides

Demet Usanmaz, Pinku Nath, Jose J. Plata, Gus L. W. Hart, Ichiro Takeuchi, Marco Buongiorno Nardelli, Marco Fornari, Stefano Curtarolo

Phys. Chem. Chem. Phys.,, vol. 18, 2016, p. 5005

High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

Pinku Nath, Jose J. Plata, Demet Usanmaz, Rabih Al Rahal Orabib, Marco Fornari, Marco Buongiorno Nardelli, Cormac Toher, Stefano Curtarolo

Comp. Mat. Sci., vol. 125, 2016, pp. 82-91

Understanding the early stages of growth of Ge on Si(001) from lattice based simulations

Paramita Ghosh, Pinku Nath, Madhav Ranganathan