Faculty at School of Engineering

Yamini Sudha Sistla

Yamini Sudha Sistla

Associate Professor and HoD

School of Engineering


Contact Information

  • High Entropy Materials for Energy and Extreme Environments.
  • Computational Materials Science & Molecular Modelling.
  • CO2 Capture, Separation and Conversion to Chemicals.
  • Catalysis and Electrocatalysis.
  • Biopolymers and Sustainable Packaging Materials.
  • Ionic Liquids for Separation and Electrolyte Applications

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Ph.D. in Chemical Engineering Indian Institute of Technology Kanpur 2013
M.Tech in Chemical Engineering Indian Institute of Technology Kanpur 2004
B.Tech in Chemical Engineering SVUCE, Tirupati 2002

01/23 – Present: Associate Professor, Department of Chemical Engineering, Shiv Nadar University, Delhi-NCR
07/18 - 01/23: Assistant Professor, Department of Chemical Engineering, Shiv Nadar University, Delhi-NCR
04/13 - 07/18 Sr. R&D Engineer, Honeywell UOP, Gurgaon
04/06 - 12/06 Senior Research Fellow, Defense Materials Stores Research and Development Establishment (DMSRDE), Kanpur
03/05 - 04/06 Engineering Executive, Hybrid Technologies, Bangalore

  • Received Bronze bravo from Honeywell UOP in the year 2016 for technical excellence in cyclization modeling for next generation platforming catalyst
  • Received Silver bravo from Honeywell UOP in the year 2016 for noteworthy contributions in ionic liquids projects
  • Received Bronze bravo from Honeywell UOP in the year 2014 for networking, leadership and mentoring skills
  • Received ANRF international travel support in 2023, 2011 & 2009 to attend an international conferences.
  • Obtained full funding from the organizing committee of the training program “2018 Hazardous Materials: First Responder Operational Level” to participate and contribute to the training program at Taiwan

  • Nabila Tabassum, Yamini Sudha Sistla*, Ramesh Gupta Burela, Ankit Gupta, Assessing the Effect of Composition on the Structural, Mechanical and Thermal Stability of High Entropy Ceramic (TiNbHfTaW)C: Density Functional Theory Study. Scientific Reports (2026). DOI: 10.1038/s41598-026-51045-5
  • Nabila Tabassum, Yamini Sudha Sistla*, Tailoring the Properties of (TiZrHfV)B₂ High-Entropy Diboride via Elemental Concentration: A First-Principles Approach. Materials Advances (2026), 7, 4754–4776. DOI: 10.1039/D6MA00075D
  • Arun Kumar, Ramesh Gupta Burela, Yamini Sudha Sistla, Ankit Gupta*, Functionally Graded Cu-HDPE Composites for Improved Solar Thermal Performance. International Journal of Energy for a Clean Environment (2025). DOI: 10.1615/InterJEnerCleanEnv.2025057161
  • Nabila Tabassum, Yamini Sudha Sistla*, Ramesh Gupta Burela, Ankit Gupta, Effect of Temperature on Microstructural, Mechanical and Thermodynamic Properties of FCC Phase-Stabilized AlCoCrFeNi High-Entropy Alloy: Atomistic Simulations. Journal of Thermal Analysis and Calorimetry 151 (2025) 4183-4208. DOI: 10.1007/s10973-025-15125-4.
  • Nabila Tabassum, Yamini Sudha Sistla*, Thermal Stability Assessment of Mixed Phase AlCoCrFeNi High Entropy Alloy: In Silico Studies. Physica B: Condensed Matter (2025), 712, 417319. DOI: 10.1016/j.physb.2025.417319
  • Smrithy Subash, Yamini Sudha Sistla, Sumedha Moharana*, Assessment of Propylene Series Glycol Ethers and Their Derivatives as Potential Corrosion Inhibitors: Molecular Simulations. ACS Applied Engineering Materials (2025), 3(10), 3358–3369. DOI: 10.1021/acsaenm.4c00707
  • Suryakanta De, Sanjeev Yadav, Dharmindar Singh, Yamini Sudha Sistla, Simplified Approach of Modeling Air Gasification of Biomass in a Bubbling Fluidized Bed Gasifier Using Aspen Plus as a Simulation Tool. Journal of Environmental Chemical Engineering (2025), 13(2), 115402. DOI: 10.1016/j.jece.2025.115402
  • A. Chandra, Yamini Sudha Sistla, M.A. Ahmed, D.V. Shankar, N.Jaglan, N.K. Das, T.Banerjee, V.S.Sistla, Heat Transfer Fluids: Amino Acid Anion Ionic Liquid Based IoNanofluids with Remarkable Thermal Conductivity and Low Viscosity. RSC Advances (2025), 15, 23146–23164. DOI: 10.1039/D5RA02995H
  • Nabila Tabassum, Yamini Sudha Sistla*, Ramesh Gupta Burela, Ankit Gupta, Structural, Electronic, Mechanical and Thermal Properties of AlxCoCrFeNi (0 ≤ x ≤ 2) High Entropy Alloy Using Density Functional Theory. Metals and Materials International (2024), 30, 3349–3369. DOI: 10.1007/s12540-024-01709-6
  • Shumyla Mehraj, Yamini Sudha Sistla*, Mayank Garg, Bisweswar Santra, Harpreet Singh Grewal, Aloke Kanjilal, Improvement of Moisture Barrier and Tensile Properties of Pectin Films by Incorporating Terminalia catappa Linn. Leaf Wax and Xylitol. Journal of Polymers and the Environment (2023), 31, 3522–3537. DOI: 10.1007/s10924-023-02755-8

1. Yamini Sudha Sistla*, and Jai Singh. Screening of Organic Solvents for Separation of Thiophene and Iso-octane: Density Functional Theory and Molecular Dynamic Simulations. Scopus indexed Springer Book "Advances in Chemical Bio and Environmental Engineering'' (Book series: Environment Science and Engineering), 2022. 2. Yamini Sudha Sistla*, Ramesh Gupta Burela, Ankit Gupta, Nabila Tabassum. Optical, Thermal and Mechanical Properties of Scheelite Molybdate and Tungstate Materials Using Atomistic Simulations. Accepted for publication in Scopus indexed Springer book ?Lecture Notes in Mechanical Engineering?, 2022.

Invited Talks

1. “Biopolymer Based Composite Materials for Food Packaging and Biomedical Applications”, at International Conference on Biological Innovation, Technology, Engineering and Sciences (BITES-2024), 18 – 20 December 2024, NIT Rourkela.
2. “In Silico Design of High Entropy Materials for Thermal Barrier Coatings Applications”, at 20th Annual Sessions of Students Chemical Engineering congress (SCHEMCON-2024), Rajiv Gandhi Institute of Petroleum Technology, Jais.
3. “Development of Biopolymer Based Food Packaging Films with Improved Moisture Barrier and Mechanical Properties”, at 18th International Congress on Thermal Analysis and Calorimetry, (ICTAC 2024), 2 – 7 September 2024, IIT Madras.
4. "Molecular Modeling: Refinery Applications" during January 2024 at BPCL R&D Centre Noida.
5. “High-Entropy Ceramic Coatings for High-Temperature Applications: Molecular Simulations Approach” on 21st November 2023, at 6th Anniversary of La Foundation Dassault Systemes on the topic.
6. "Molecular modeling studies to design catalyst for maximizing propylene yield in FCC" during November 2022, at IOCL R&D Centre, Faridabad on the topic.
7. “Catalytic Aspects of High Density Polyethylene, Naphtha Hydrotreating and Olefin Production” for Gas Authority of India Limited Training Center Noida on 25th March 2022.
8. "Applications of Molecular Modeling" at Vignan University, Guntur, Andhra Pradesh during October 2019.
9. "Molecular Modeling: Refinery Applications" during November 2018, at IOCL R&D Centre, Faridabad on the topic.

Conferences during 2025- 2026

1. Yamini Sudha Sistla, Mansingh Yadav, Nabila Tabassum, Designing High-Entropy Ceramics for Extreme Environments via Density Functional Theory, European Advanced Materials Congress, 25-27 August 2026, Stokholm, Sweden. (Accepted for Oral Presentation)
2. Mansingh Yadav, Yamini Sudha Sistla, Density Functional Theory Based Rational Design of Low Thermal Conductivity High-Entropy Oxides. International Conference on Emerging Multifunctional Materials and Devices for Sustainable Technologies – (IEMDST-2026), NIT Goa, 8-9 June 2026 (Oral Presentation)
3. Mansingh Yadav, Yamini Sudha Sistla, Tuning the Composition of (TiCeZrMoMn)O2 to Enhance the Structural, Mechanical and Thermal Stability: First Principles Studies, 12th International Conference on High Temperature Ceramic Matrix Composites and 3rd Global Forum on Advanced Materials and Technologies for Sustainable Development, American Ceramic Society, May 31 - June 5, 2026, San Diego, California, USA. (Accepted for Oral Presentation)
4. J Prathosh Iyer, Yamini Sudha Sistla, Developing Novel Adsorbents to Improve Carbon Dioxide Capture, 4th International Conference CHEM-TECHNOVA 2026, HBTU Kanpur, March 12-14, 2026 (Oral Presentation).
5. Mansingh Yadav, Yamini Sudha Sistla, Design of High-Entropy Oxides with Low Thermal Conductivity for High Temperatures Applications, 5th Global Ceramic Leadership Roundtable on “Next-Generation Ceramics for a Sustainable Future (NGCSF 2026)", IIT BHU, Varanasi, February 17-18, 2026. (Poster Presentation)
6. Mansingh Yadav, Yamini Sudha Sistla, Finite Element Analysis of Thermal Barrier Coatings Subjected to Thermal Cycling and Growth Stresses, International Conference on Engineering and Functional Coatings, EnggCoat 2026, IIT Bombay, Mumbai, February 25 – 27, 2026. (Oral Presentation)
7. J Prathosh Iyer, Yamini Sudha Sistla, Developing Zeolitic Imidazolate Framework Materials as Novel Adsorbents to Improve Carbon Dioxide Capture, Two-day International Conference on Novel Materials and Technologies for Energy and Environment Applications, NMTE2A-2026, BITS Pilani Hyderabad, February 7-8, 2026 (Accepted for Oral Presentation)
8. Tabassum, N., and Sistla, Y.S., Thermal Stability and Oxidation Resistance of NiCrAl Substrate AlCoCrFeNi HEA Interface, International Cold Spray Conference & Expo - ICSC 2026, The Indian Thermal Spray Association (iTSA-2026), IIT Madras (Oral Presentation).
9. Tabassum, N., and Sistla, Y.S., Unravelling the effect of phases of AlCoCrFeNi Thermal Barrier Coating for NiCrAl Substrate: Molecular Simulation Studies. 14th International Conference of Collide (COLL-2025), Spain (2025) (Poster presentation).
10. Tabassum, N., and Sistla, Y.S., First Principles Based Optimization of the Composition of (TiNbHfTaW)C Based High Entropy Carbide Ceramic for Superior Thermal and Mechanical Properties. Materials Today Conference (MATA-2025), Spain (Abstract accepted-Poster).
11. Tabassum, N., and Sistla, Y.S., Optimizing the Composition of (TiNbHfTaW)C High Entropy Carbide Ceramic for Superior Mechanical Stability: Density Functional Theory, Young Scientist Conclave (YSC) during IISF-2025, Haryana (Poster Presentation).
12. Anshu Chandra, Yamini S. Sistla*, Sajal Ghosh, Tamal Banerjee, Amino Acid Anion Ionic Liquid and MWCNT Based Nanofluids as Heat Transfer Fluids, 8th International Conference on Ionic Liquids ILMAT2025, September 8 – 12, 2025, Rome, Italy (Accepted for Oral Presentation).
13. Mir Ahmed, Niharika, Yamini Sudha Sistla, CO2 absorption studies using mixed amine solvents, Advances in CCUS, IIT Kanpur Noida Outreach Centre, April 2025. (Poster Presentation)
14. Nabila Tabassum, Yamini Sudha Sistla, Evaluating the (ZrVTi1-xHf1+x)B2 (x = 0, 0.24, 0.52, 0.76) High Entropy Borides as Prospective Wear-Resistant and Heat-Resistant Materials: First Principles Calculations, Wear, 25th International Conference on Wear of Materials,13-17 April 2025, Sitges, Spain. (Accepted for Poster presentation)

Total number of projects: 9
Projects as PI: 3
Projects as Co-PI: 6
Total projects grant: 1.76 Cr

Project 1: Catalyst Development for Conversion of CO2: A Combined Experimental and Computational Approach (2026 - 2028)
Funding Agency: Indian Oil Corporation Limited (IOCL) R&D, Faridabad
Amount Sanctioned: 48.5 Lakh

Project 2: Waste resource-based biodegradable and sustainable sanitary napkins for management of menstrual hygiene (2025 – 2028)
Funding Agency: Elsevier Chemistry for Climate Challenge
Amount Sanctioned: 21.00 Lakh

Project 3: Understanding the Effect of Microstructure Evolution during Film Formation on the Properties of Bio-polymer Based Edible Films and Coatings (2024 – 2027)
Funding Agency: SERB(ANRF)/ SURE scheme
Amount Sanctioned: 20.68 Lakh

Project 4: Development of Low-cost Electro Catalyst for Hydrogen Generation (2025 – 2026)
Funding Agency: La Foundation Dassault Systemes
Amount Sanctioned: 12.85 Lakhs

Project 5: Molecular-Level Analysis of Lime-Based Mortars in Challenging Environmental Conditions (2024 – 2025)
Funding Agency: La Foundation Dassault Systemes
Amount Sanctioned: 18.26 Lakh

Project 6: Development of new materials for various sensor improvement by 3-D Nonlinear Modelling of Magneto- Elastomers using Variational Asymptotic Method (VAM) (2024 – 2025)
Funding Agency: La Foundation Dassault Systemes
Amount Sanctioned: 10.00 Lakhs

Project 7: Indian pollution scenarios of PM10 and PM2.5:Local measurement to regional emission modeling through atmospheric chemistry, health impact (2023 – 2025)
Funding Agency: SNU FGIR
Amount Sanctioned: 20.00 Lakhs

Project 8: High-Entropy Ceramic coatings for High-Temperature Applications: Molecular Simulations approach with Experimental validation (2023 – 2024)
Funding Agency: La Foundation Dassault Systemes
Amount Sanctioned: 11.80 Lakh

Project 9: Revamping efficiency of Solar Thermal System using advanced composites (2022 – 2023)
Funding Agency: La Foundation Dassault Systemes
Amount Sanctioned: 10.00 Lakh