About

Dr. Shailesh Kumar Singh is currently serving as a Principal Scientist at the CSIR–Indian Institute of Petroleum (CSIR–IIP), Dehradun. Prior to joining CSIR–IIP, he worked with several leading multinational organizations, including Mahindra & Mahindra, Dassault Systèmes, Boeing, and CSIR–CMERI Durgapur, contributing to advanced materials development and manufacturing technology initiatives. He completed his Post-Doctoral fellowship under Solar Energy Research Institute for India and United States (SERIIUS)- an Indo-US consortium led by Indian Institute of Science (IISc), Bangalore. Dr. Singh earned his Ph.D. in Materials Engineering from the Indian Institute of Science (IISc), Bangalore, with a specialization in materials design and processing. His research interests include hydrogen storage materials, high-entropy alloys (HEAs) and advanced material development, material informatics and machine learning, additive and advanced manufacturing, and sustainable green technologies.

He has authored numerous research articles in reputed SCI (Q1) journals, contributed several book chapters, delivered invited talks at national and international conferences, and filed multiple patents in the field of advanced materials. Dr. Singh has received several prestigious awards and research grants, including the Boeing Pride Award for outstanding technical contributions and project funding from SERB, the Centre for High Technology (CHT), and CSIR. His work focuses on developing next-generation sustainable materials and enhancing India’s capabilities in clean energy and advanced manufacturing.

“My vision is to contribute to a sustainable hydrogen economy by developing innovative materials and processes that bridge science and industry.”

Academic Qualifications

Ph.D. (Materials Engineering)
Indian Institute of Science (IISc), Bangalore
2014
B.E. (Mechanical Engineering)
Rajiv Gandhi Proudyogiki Vishwavidyalaya (RGPV), Bhopal
2006

Research Interests

⚡ Solid State Hydrogen Storage

Development of advanced materials for hydrogen absorption and desorption under ambient conditions, and design of storage canisters integrating efficient thermal management and safety features for practical hydrogen energy applications.

⚙️ Additive Manufacturing

3D printing of metallic materials and their microstructural and mechanical characterization for aerospace and automotive applications.

🔩 Friction & Wear

Studying metallic materials under dry and lubricated conditions to improve durability.

🌍 Sustainable Energy Materials

Innovative materials for renewable and eco-friendly energy technologies.

📊 Integrated Computational Materials Engineering (ICME)

Combining simulations and experiments for enhanced material performance.

🔬 Materials Processing & Manufacturing

Advanced material processing and manufacturing techniques, with emphasis on friction welding, conventional casting, and semi-solid casting.

💡 Material Informatics

Design and development of novel materials using physics-informed machine learning models integrated with experimental validation.

🧩 High Entropy Alloy Design

Design and development of multicomponent and high-entropy alloys engineered for superior strength, ductility, and hydrogen storage performance.

Professional Experience

Principal Scientist & Associate Professor, Climate Change and Data Science Division
CSIR-Indian Institute of Petroleum, Dehradun
2024 – Present
Senior Scientist & Head, Advanced Tribology Research Centre
CSIR-Indian Institute of Petroleum, Dehradun
Jan 2020 – Jan 2024
Senior Scientist, Advanced Design and Analysis Group
CSIR-Central Mechanical Engineering Research Institute, Durgapur
Jan 2018 – Jan 2020
Research Scientist, Materials & Manufacturing Technology Group
Boeing Research & Technology, Bangalore &Csattle
Jul 2015 – Jan 2018
Senior Engineer, Simulia Group
Dassault Systèmes, Pune
Dec 2014 – Jul 2015
Post-Doctoral Fellow, SERIIUS (Indo-US Consortium)
Indian Institute of Science, Bangalore
Jan 2014 – Dec 2014
Engineer
Mahindra & Mahindra Ltd., Nashik
Aug 2006 – Dec 2007

Awards & Honors

2025
Center For High Technology Grant
2022
CSIR AI Mission Grant
Recognized for advancing artificial intelligence applications in materials discovery and engineering.
2020
SERB SRG Grant
Awarded for impactful early-stage research in energy materials and hydrogen storage technologies.
2008–2012
MHRD Fellowship
Fellowship received during doctoral studies at IISc Bangalore, supporting cutting-edge materials research.
2017
Boeing Pride Award
Honored by Boeing R&D for outstanding contributions to computational materials engineering and innovation.

Patents

🧾
Sealing of Keyhole in Friction Stir Welding using movable tool
Indian Patent Published — 2024
Application No: 202241055475
🧾
High entropy-based Cr-Cu-Mn-Ni alloy system and process for preparation thereof
Indian Patent Filed — 2024
Application No: 202411102374
🧾
Triazole based Hindered Phenolic Multifunctional Additive for Polyol based Organoclay Grease
Indian Patent Filed — 2024
Application No: 202411035572

Recent Publications

Effect of structural modulation of B2 phase on the deformation mechanism in FeNiCrCoAl high entropy alloy: an atomistic insight,
K Vijay Reddy, P Kumar, S. Pal, Shailesh Kumar Singh*
Materials Chemistry and Physics, 2025
DOI
An experimental and theoretical investigation of room temperature hydrogen storage in TiVNiNb high-entropy alloy
P Kumar, V K Singh, Shailesh Kumar Singh*
Materials Letters, 2025
DOI
Machine Learning-Assisted Design of High-Entropy Alloys for Optimal Strength and Ductility
Shailesh Kumar Singh*, B K Mahanta, Pankaj Rawat, Sanjeev Kumar
Journal of Alloys and Compounds, 2024
DOI
Mechanical properties of novel PLA composite infused with betel nut waste biocarbon for sustainable 3D printing
Nishitha Arora, Shailesh Kumar Singh*, Sachin Dua, Varsha Choudhary, T Senthil Kumar
Composite communications
A comprehensive review on fillers and mechanical properties of 3D printed polymer composites
Shailesh Kumar Singh*, Nishtha Arora, S dua, T. SenthilKumar
Materials Today Communication
Machine learning assisted optimization of tribological parameters of Al–Co–Cr–Fe–Ni high-entropy alloy
Shailesh Kumar Singh*, Saurabh Vashistha, Bashista Kumar Mahanta, Vivek Kumar Singh
Materials and Manufacturing Processes
Tribological and rheological properties of trimethylolpropane trioleate based environmentally adapted grease
Shailesh Kumar Singh*,Ripudaman Singh Negi, Raj Kumar Singh
Negi Biomass Conversion and Biorefinery
DOI
Potential valorization of used cooking oil into novel biolubricating grease through chemical modification and its performance evaluation
Shailesh Kumar Singh*,Ripudaman Singh Negi, Raj Kumar Singh, Neeraj Atray
Waste and Biomass Valorization
Investigation of tribological and rheological properties of eco-friendly pentaerythritol tetraoleate ester-based calcium complex grease
Shailesh Kumar Singh*,Ripudaman Singh Negi, Raj Kumar Singh, Shubhabrata Datta
Industrial Crops and Products
Significance of Additives on the Modern Casting Method
Shailesh Kumar Singh*Saurabh Vashistha, Vivek Kumar Singh
Tribology in Sustainable Manufacturing
Small-scale deformation behaviour of the AlCoCrFeNi2.1 eutectic high entropy alloy
Shailesh Kumar Singh*Snehanshu Pal, M. S.Azam & Saurabh Dixit
Philosophical Magazineg
Application of Molecular Dynamics and Calorimetry for Study and Characterization of Polymers
Shailesh Kumar Singh*Gourav Shrivastav, Tuhin S. Khan, Bibek Dash, Vivek K.Singh
Encyclopedia of Materials: Plastics and Polymers
Mechanical properties of novel PLA composite infused with betel nut waste biocarbon for sustainable 3D printing
Nishtha Arora, Sachin Dua, Varsha Choudhary,T. Senthil Kumar, Shailesh Kumar Singh*
Composite Communications, Vol. 53,102188, 2025
An experimental and theoretical investigation of room temperature hydrogen storage in TiVNiNb high-entropy alloy
Prashant Kumar, Vivek Kumar Singh, Shailesh Kumar Singh*
Materials Letters, Vol. 388, 138334, 2025
Effect of structural modulation of B2 phase on the deformation mechanism in FeNiCrCoAl high entropy alloy: An atomistic insight,
K.V. Reddy, Prashant Kumar, Snehanshu Pal, Shailesh Kumar Singh*
Materials Chemistry and Physics, Vol. 1, 130840, 2025.
Deformation Mechanisms and Predictive Modeling of AlCoCrFeNi HEA under Hot Working Conditions
Saurabh Vashistha, B.K. Mahanta, Pankaj Rawat, Vivek K. Singh, Shailesh Kumar Singh*
Journal of Alloys and Compounds, Vol. 1035, pp.181636, 2025.
Experimental and Machine Learning Approaches to Phase Prediction in High Entropy Alloy and Medium Entropy Alloy,
B.K. Mahanta, Pankaj Rawat, Shailesh Kumar Singh*
Materials Chemistry and Physics, 2025, Vol.347, pp.131403
Pinecone derived Biochar-Polylactic Acid Composites for Sustainable 3D Printing,
Nishtha Arora, Om Yadav, Sachin Dua, Shailesh Kumar Singh*
V.C.S. Palla, T.Senthilkumar, ACS Applied Bio Materials, 2025.
Molecular Dynamics Simulation Study of Irradiated High-Entropy Alloy with Crystalline–Amorphous Nanolaminate
M. Manna, S. Pal, Shailesh Kumar Singh*
High Entropy Alloys Mater., Vol. 3, pp. 188–202, 2025.
Machine learning-based prediction of high-entropy alloys for hydrogen storage with optimized thermodynamic and kinetic parameters,
Pankaj Rawat, Vivek Singh, S Kumar, S K Pathak, Shailesh Kumar Singh*
Journal of Energy storage, (2025), Vol. 139(B), pp.118865
Post-processing approaches for HEA coatings. In: Saji, V.S., Brechtl, J.M. (Eds.), High-Entropy Alloy Coatings – Fundamentals and Applications.
B K Mahanta, S Kumar, S K Pathak, Shailesh Kumar Singh*
(2025) CRC press, Taylor & amp; Francis.
Deformation Behaviour Study of Single Crystal BaPt₂ Compound Using Parameterized EAM Potential: Part 1 – Tensile and Creep Characteristics,
Sankhasubhra Mukhopadhyay, Soumitra K Dinda, Manojit Ghosh, Snehanshu Pal. Shailesh Kumar Singh*
Journal of Engineering Materials and Technology
Machine learning-assisted analysis of dry and lubricated tribological properties of Al-Co-Cr-Fe-Ni high entropy alloy
Vashistha, S., B.K.Mahanta, , Ray, A., Singh, V.K., Singh, Shailesh Kumar Singh*
Digital Discovery, Vol. 3(11).
DOI
Deformation Behaviour Study of Single Crystal BaPt₂ Compound Using Parameterized EAM Potential: Part 1 – Tensile and Creep Characteristics,
Mukhopadhyay, S., Dinda, Ghosh, M., Pal, S Shailesh Kumar Singh*
Journal of Engineering Materials and Technology, Vol.147(2), 021002
DOI

Research Projects

25+

Total Projects

~ INR 900 Lakhs ( 1,019,700 US Dollar)

Total Funding

15+

Principal Investigator Projects

10+

Industry & Govt. Collaborations

Light weight novel multicomponent high entropy alloy for hydrogen storage application

Sponsor: CHT-GAIL

Duration: 2025–2028

Funding: INR 198 lakhs(US$223,344.00)

Role: Principal Investigator (PI)

Design and Development of high-entropy alloys using Artificial Intelligence for gas turbine applications

Sponsor: Council of Scientific and Industrial Research (CSIR)

Duration: 2022–2025

Funding: INR 225 lakhs (US$253,800)

Role: Principal Investigator (PI)

High Entropy Alloys for hydrogen storage application operable at Room Temperature (HEART)

Sponsor:Council of Scientific and Industrial Research (CSIR)

Duration: 2022–2025

Funding: INR 400 Lakhs (US$451,200)

Role:Principal Investigator (PI)

Multipurpose Green lubricating grease formulation based on indigenous non edible oils

Sponsor: Council of Scientific and Industrial Research (CSIR)

Duration: 2022–2025

Funding: INR 178 Lakhs(US$200,784)

Role:Principal Investigator (PI)

High-temperature workability and Tribological Characterization of High Entropy alloy

Sponsor: SERB,DST

Duration: 2020–2022

Funding: INR 28 Lakhs(US$31,584)

Role:Principal Investigator (PI)

Optimization of Friction stir welding process parametersfor butt joining of 2024 Al alloy

Sponsor: Council of Scientific and Industrial Research(CSIR)

Duration: 2018–2020

Funding: INR 50 Lakhs(US$56,400)

Role: Principal Investigator (PI)

Performance Investigation of Hydraulic Oil 46 and Gear Oil 320

Sponsor: Schaeffler India Ltd., Pune

Agencies: CSIR-IIP & M/s. schaeffler india limited

Role: Principal Investigator

Compatibility & Miscibility Tests for HP ENKLO FRDU 46

Sponsor: HPCL, Ahmedabad

Agency: HPCL, Ahmedabad & CSIR-IIP

Role: Principal Investigator

Evaluation of Friction and wear of friction wedge material for railway application

Sponsor: M/s. Raneka industries Ltd., Pritampura

Agency: CSIR-IIP & M/s. Raneka industries Ltd., Pritampura

Role: Principal Investigator

investigation of friction and wear of friction wedge material for railway application

Sponsor: M/s. Sujan Industries Ltd., Mumbai

Agency: M/s. Sujan Industries Ltd., Mumbai & CSIR-IIP

Role: Principal Investigator

friction and wear behaviour of friction wedge material for railway application

Sponsor: M/s. Wabtec ltd. Kolkata

Agency: M/s. Wabtec ltd. Kolkata & CSIR-IIP

Role: Principal Investigator

Evaluation of Friction and wear of friction wedge material for railway application

Sponsor: M/s.Frontier Alloy Steel Ltd. Kanpur

Agency: M/s. Frontier Alloy Steel Ltd, Kanpur & CSIR-IIP

Role: Principal Investigator

Lubrication and wear behaviour of Grease and Rolling bearing contact

Sponsor: M/s.Balmer Lawrie & Co. Ltd, Kolkata

Agency: M/s.Balmer Lawrie & Co. Ltd, Kolkata & CSIR-IIP

Role: Principal Investigator

Evaluation of Homogeneity and Miscibility of HISAFE DU 4600 & Protomac Hydralube 46

Sponsor: M/s. Hardcastle Petrofer Private Ltd., New Delhi

Agency: M/s. Hardcastle Petrofer Private Ltd., New Delhi & CSIR-IIP

Role: Principal Investigator