NATH PINKU

基本情報

所属

北海道大学

学位

PhD in Computational Chemistry(2014年3月 Indian Institute of Technology Kanpur, India)

研究者番号

80973461

J-GLOBAL ID

202201018604427352

researchmap会員ID

R000042132

研究キーワード

• Solid State physics
• Reaction Path Search
• Chemical Ontology

研究分野

• 情報通信 / 知能情報学 / Human Knowledge and Reaction Path search
• ナノテク・材料 / 無機材料、物性 /

経歴

• 2026年8月 - 現在

  北海道大学
• 2022年8月 - 2026年7月

  北海道大学, ICReDD
• 2022年3月 - 2022年7月

  Basque Center for Applied Mathematics, Bilbao, Spain
• 2019年1月 - 2021年9月

  Lovely Professional University, Phagwara, Punjab, India
• 2014年1月 - 2019年1月

  Pratt School of Engineering, Duke University, NC, USA

学歴

• 2006年12月 - 2014年1月

  Indian Institute of Technology Kanpur
• 2004年3月 - 2006年3月

  Indian Institute of Technology Guwahati

受賞

• 2026年8月

  Accelerating scientific discovery with ChatGPT for Academic Researchers
• 2011年

  Carl Storm International Diversity Fellowship for attending Gordon Research Conference
• 2010年

  Best Poster Award in Theoretical Chemistry Symposium
• 2007年

  Graduate Research Fellowship from Council of Scientific & Industrial Research

論文

• ChemOntology: A Reusable Explicit Chemical Ontology-Based Method to Expedite Reaction Path Searches

  Pinku Nath, Yuriko Ono, Yu Harabuchi, Yasunori Yamamoto, Satoshi Maeda, Tetsuya Taketsugu, Masaharu Yoshioka

  ACS Catal. 16(3) 2105-2118 2025年12月 査読有り筆頭著者責任著者
• 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 Appl. Mater. Interfaces 16(22) 28590-28598 2024年5月 査読有り責任著者
• Thermodynamics of Solids Including Anharmonicity Through Quasiparticle Theory

  Ernesto Blancas, Álvaro Lobato, Fernando Izquierdo Ruiz, Antonio M, Márquez, J. Manuel Recio, Pinku Nath, José J, Plata, Alberto Otero de la Roza

  10(267) 2024年4月 査読有り
• 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 Márquez, Jose Plata, Ernesto J Blancas, José Luis González-Sánchez, Javier Fdez. Sanz, Pinku Nath

  ACS Applied Materials & Interfaces 2024年1月9日 査読有り責任著者
• 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, Javier Fernández Sanz

  ACS Applied Materials & Interfaces 13(25) 29843-29857 2021年6月30日 査読有り筆頭著者
• 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 38(1) 2021年1月
• Wetting transition of a nanodrop on switchable hydrophilic-hydrophobic surfaces

  J. Roy Choudhuri, P. Nath

  Surfaces and Interfaces 21 100628-100628 2020年12月 査読有り
• 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 8 138470-138480 2020年
• 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

  Physical Review Materials 3(7) 2019年7月8日 査読有り筆頭著者
• Spinodal Superlattices of Topological Insulators

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

  Chemistry of Materials 30(7) 2331-2340 2018年4月10日 査読有り
• 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, Mark Asta, Marco Fornari, Marco Buongiorno Nardelli, Stefano Curtarolo

  npj Computational Materials 3(1) 2017年12月 査読有り
• High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity

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

  Scripta Materialia 129 88-93 2017年3月 査読有り筆頭著者
• High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation

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

  Computational Materials Science 125 82-91 2016年12月 査読有り筆頭著者
• 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

  Physical Chemistry Chemical Physics 18(6) 5005-5011 2016年 査読有り
• Understanding the early stages of growth of Ge on Si(001) from lattice based simulations

  Paramita Ghosh, Pinku Nath, Madhav Ranganathan

  Surface Science 639 96-101 2015年9月 査読有り
• Study of Stranski–Krastanov growth using kinetic Monte Carlo simulations with an atomistic model of elasticity

  Pinku Nath, Madhav Ranganathan

  Surface Science 628 8-16 2014年10月 査読有り筆頭著者
• Kinetic Monte Carlo simulations of heteroepitaxial growth with an atomistic model of elasticity

  Pinku Nath, Madhav Ranganathan

  Surface Science 606(17-18) 1450-1457 2012年9月 査読有り筆頭著者
• Vanadium-Catalyzed Selective Oxidation of Alcohols to Aldehydes and Ketones withtert-Butyl Hydroperoxide

  Laxmidhar Rout, Pinku Nath, Tharmalingam Punniyamurthy

  Advanced Synthesis & Catalysis 349(6) 846-848 2007年4月2日 査読有り

書籍等出版物

• In silico modeling of inorganic thermoelectric materials

  Jose J.Plata, Pinku Nath, Javier Fdez Sanza, Antonio Marqueza (担当:共著)

  Elsevier 2022年9月 (ISBN: 9780124095472)
• Handbook of Materials Modeling: Methods: Theory and Modeling

  Springer 2020年3月27日 (ISBN: 3319446762)
• New dimensions in production and utilization of hydrogen

  Nanda, Sonil, N. Vo, Dai-Viet, Nguyen Tri, Phuong

  Elsevier 2020年 (ISBN: 9780128195536)

講演・口頭発表等

• ChemOntology: A Reusable Explicit Chemical Ontology-Based Method to Expedite Reaction Path Searches

  Pinku Nath

  The 4th List Platform Symposium, ICReDD Hall, 4F ICReDD, Hokkaido University, Japan
• ChemOntology: A Reusable Explicit Chemical Ontology-Based Method to Expedite Reaction Path Searches

  Pinku Nath

  41st Symposium on Chemical Kinetics and Dynamics, Frontier Research in Applied Sciences Building (2F)(Kita-15, Nishi-8, Kita-ku, Sapporo)
• 0

  ChemOntology: Leveraging Chemical Knowledge for Smarter Reaction Network Exploration

  19th Theoretical Chemistry Symposium (TCS- 2025), IIT-Bombay, India 2025年12月2日 招待有り
• 0

  CHEMONTO: A Reusable Explicit Chemical Ontology-based Method to expedite > Reaction Path Searches.

  BIRLA INSTITUTE OF TECHNOLOGY & SCIENCE PILANI (RAJASTHAN) 333 031, INDIA 2025年9月24日 招待有り
• 0

  An accelerated computational methodology to compute diverse varieties of finite temperature properties of solid materials

  Pinku Nath, Yuki Ide, Yasuhide Inokuma, Masaharu Yoshioka , Jose. J. Plata

  International Conference on Advances in Functional Materials and Applications (AFMA – 2025) 2025年2月21日 招待有り
• An automated and accelerated computational framework to compute finite temperature properties including anharmonic effects in different property domains

  Pinku Nath, Yuki Ide, Jose. J. Plata, Yasuhide Inokuma, Masaharu Yoshioka

  13 December 2024 ISAJ Hokkaido 2024 Symposium on Collaborative Solutions for a Sustainable World at 5F Conference Hall, CRIS Building, North Campus, Hokkaido University Sapporo, Japan 2024年12月13日 招待有り
• 2

  Machine learning approaches to accelerate the computation of finite temperature properties of solid materials

  Pinku Nath, Yuki Ide, Jose. J. Plata, Yasuhide Inokuma, Masaharu Yoshioka

  10th International Conference on Materials Science & Engineering, at Tokyo, Japan 2024年10月18日 招待有り
• 1

  Computational Science and its applications in Science and technology

  Pinku Nath

  Application of Chemical Science for Sustaibanle solotion in Energy, Health, and Environment, at Moinul Hoque Choudhury Memorial Science College, Assam, India 2024年9月19日 招待有り
• 1

  An automated and accelerated computational framework to compute finite temperature properties including anharmonic effects in different property domains

  7th International Conference on Materials Science & Nanotechnology 2024年7月15日 招待有り
• Development of chemical ontology-based methodology to identify key features in chemical reaction dynamics

  Pinku Nath, Yuriko Ono, Masaharu Yoshioka

  The 7th ICReDD International Symposium - The Rising Star Program 2024年1月19日 招待有り
• Development of an automated methodology to identify key features in reaction path search

  Pinku Nath, Yuriko Ono, Masaharu Yoshioka

  The 5th conference of Theory and Applications of Computational Chemistry (TACC) 2023年9月4日
• Strong negative thermal expansion in metal carbides using the quasi-harmonic approximation

  APS March Meeting, New Orleans, Louisiana, USA 2017年
• High-throughput thermodynamics of vibrational degrees of freedom with AFLOW

  APS March Meeting, San Antonio, Texas, USA 2015年
• Kinetic Monte Carlo Simulations of growth of heteroepitaxial thin films: Thin Films and Crystal Growth Mechanisms.

  Gordon Research Conferences, University of New England in Biddeford ME United State 2011年7月16日
• Kinetic Monte Carlo Simulations of growth of heteroepitaxial thin films

  2010年

担当経験のある科目(授業)

• 2019年1月 - 2021年11月

  Computational Chemistry (Lovely Professional University, Phagwara, Punjab, India)
• 2019年1月 - 2021年9月

  Introduction to artificial intelligence (Lovely Professional University, Phagwara, India)
• 2019年1月 - 2021年7月

  Introduction to group theory for chemists (Lovely Professional University, Phagwara, Punjab, India)

所属学協会

• 2022年8月 - 現在

  Specially appointed assistant professor, Hokkaido University, ICReDD
• 2022年3月 - 2022年7月

  Research Associate, Basque Center for Applied Mathematics, Bilbao, Spain
• 2019年1月 - 2021年9月

  Assistant Professor, Lovely Professional University, Phagwara, Punjab, India
• 2014年1月 - 2019年1月

  Postdoctoral Associate, Pratt School of Engineering, Duke University, NC, USA
• 2006年6月 - 2014年1月

  Ph.D, IIT-Kanpur, India

学術貢献活動

• ChemOntology A knowledge driven approach to perform reaction path search

  学術調査立案・実施

  2022年7月 - 現在
• Primary developer of AQHA

  審査・評価, 学術調査立案・実施

  2019年1月9日 - 2021年9月1日
• A developer of AFLOW

  学術調査立案・実施

  2014年1月13日 - 2019年1月1日