Publications

Scholar Profile and Thesis

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Ph.D. Thesis

Molecular Dynamics Study of Solid-Liquid Heat Transfer and Passive Liquid Flow. Sumith Yesudasan, 2016, Syracuse University.

Thesis

Peer-Reviewed Journal Articles (26)

  1. Yesudasan, S., & Borca-Tasciuc, D.-A. (2026). Molecular dynamics study comparing the enthalpy of vaporization of water under electric fields in bulk and interfacial systems. ASME Journal of Heat and Mass Transfer, 148(9). https://doi.org/10.1115/1.4072133

  2. Yesudasan, S., Mamshad, M., Marcello, J., & Taylor, M. (2025). Evaporation behavior of water in confined nanochannels using molecular dynamics simulation. Journal of Nuclear Engineering, 6(4), 43. https://doi.org/10.3390/jne6040043

  3. Yesudasan, S. (2025). Thermostating strategies and interaction potentials in interfacial water simulations: Are they really needed? Frontiers in Mechanical Engineering, 11. https://doi.org/10.3389/fmech.2025.1690974

  4. Amoako, K., Mokhammad, A., Malik, A., Yesudasan, S., Wheba, A., Olagunju, O., Gu, S. X., Yarovinsky, T., Faustino, E. V. S., Nguyen, J., & Hwa, J. (2025). Enhancing nucleic acid delivery by the integration of artificial intelligence into lipid nanoparticle formulation. Frontiers in Medical Technology, 7, 1591119. https://doi.org/10.3389/fmedt.2025.1591119

  5. Yesudasan, S. (2025). Evaporation characteristics of heat pipes with sub-critical nanopores. Molecular Physics. https://doi.org/10.1080/00268976.2025.2472975

  6. Yesudasan, S. (2022). The critical diameter for continuous evaporation is between 3 and 4 nm for hydrophilic nanopores. Langmuir. https://doi.org/10.1021/acs.langmuir.2c00159

  7. Yesudasan, S., & Averett, R. D. (2021). Fracture mechanics analysis of fibrin fibers using mesoscale and continuum level methods. Informatics in Medicine Unlocked, 23, 100524. https://doi.org/10.1016/j.imu.2021.100524

  8. Babu, E., Yesudasan, S., & Chacko, S. (2021). Cymatics inspired self-cleaning mechanism for solar panels. Microsystem Technologies, 27, 853-861. https://doi.org/10.1007/s00542-020-04978-4

  9. Hotchandani, V., Mathew, B., Yesudasan, S., & Chacko, S. (2021). Thermo-hydraulic characteristics of novel MEMS heat sink. Microsystem Technologies, 27, 145-157. https://doi.org/10.1007/s00542-020-04933-3

  10. Mohammed, A., Yesudasan, S., & Chacko, S. (2021). A multilayered photonic emitter for high-performance daytime radiative cooling. Microsystem Technologies, 27, 2873-2887. https://doi.org/10.1007/s00542-020-05091-2

  11. Yesudasan, S., & Averett, R. D. (2020). Multiscale network modeling of fibrin fibers and fibrin clots with protofibril binding mechanics. Polymers, 12(6), 1223. https://doi.org/10.3390/polym12061223

  12. Noronha, B., Yesudasan, S., & Chacko, S. (2020). Static and dynamic analysis of automotive leaf spring: A comparative study of various materials using ANSYS. Journal of Failure Analysis and Prevention, 20, 804-818. https://doi.org/10.1007/s11668-020-00877-y

  13. Yesudasan, S. (2020). Extended MARTINI water model for heat transfer studies. Molecular Physics, 118(13), e1692151. https://doi.org/10.1080/00268976.2019.1692151

  14. Yesudasan, S., & Averett, R. D. (2019). Recent advances in computational modeling of fibrin clot formation: A review. Computational Biology and Chemistry, 83, 107148. https://doi.org/10.1016/j.compbiolchem.2019.107148

  15. Yesudasan, S. (2019). Thin film pressure estimation of argon and water using LAMMPS. International Journal of Engineering, 12(1), 1-10.

  16. Hood, J. E., Yesudasan, S., & Averett, R. D. (2018). Glucose concentration affects fibrin clot structure and morphology as evidenced by fluorescence imaging and molecular simulations. Clinical and Applied Thrombosis/Hemostasis. https://doi.org/10.1177/1076029618792304

  17. Yesudasan, S., Wang, X., & Averett, R. D. (2018). Fibrin polymerization simulation using a reactive dissipative particle dynamics method. Biomechanics and Modeling in Mechanobiology, 17(5), 1389-1403. https://doi.org/10.1007/s10237-018-1033-8

  18. Yesudasan, S., Douglas, S. A., Platt, M. O., Wang, X., & Averett, R. D. (2019). Molecular insights into the irreversible mechanical behavior of sickle hemoglobin. Journal of Biomolecular Structure and Dynamics, 37(5), 1270-1281. https://doi.org/10.1080/07391102.2018.1456362

  19. Yesudasan, S., Wang, X., & Averett, R. D. (2018). Coarse-grained molecular dynamics simulations of fibrin polymerization: Effects of thrombin concentration on fibrin clot structure. Journal of Molecular Modeling, 24, 109. https://doi.org/10.1007/s00894-018-3642-7

  20. Scogin, T., Yesudasan, S., Walker, M., & Averett, R. D. (2018). Electromagnetically induced distortion of a fibrin matrix with embedded microparticles. Journal of Mechanics in Medicine and Biology, 18, 1850016. https://doi.org/10.1142/S0219519418500161

  21. Yesudasan, S., Wang, X., & Averett, R. D. (2018). Molecular dynamics simulations indicate that deoxyhemoglobin, oxyhemoglobin, carboxyhemoglobin, and glycated hemoglobin under compression and shear exhibit an anisotropic mechanical behavior. Journal of Biomolecular Structure and Dynamics. https://doi.org/10.1080/07391102.2017.1323674

  22. Yesudasan, S., & Maroo, S. C. (2018). A direct two-dimensional pressure formulation in molecular dynamics. Journal of Molecular Graphics and Modelling, 79, 230-234. https://doi.org/10.1016/j.jmgm.2017.12.006

  23. Yesudasan, S., & Maroo, S. C. (2017). A robust algorithm for contact angle and interface detection of water and argon droplets. Heat Transfer Engineering, 38(14-15), 1343-1353. https://doi.org/10.1080/01457632.2016.1242970

  24. Yesudasan, S., & Maroo, S. C. (2016). Origin of surface-driven passive liquid flows. Langmuir, 32(34), 8593-8597. https://doi.org/10.1021/acs.langmuir.6b02117

  25. Yesudasan, S., & Maroo, S. C. (2015). Surface-heating algorithm for water at nanoscale. The Journal of Physical Chemistry Letters, 6(18), 3765-3769. https://doi.org/10.1021/acs.jpclett.5b01627

  26. Yesudasan, S. (2015). An efficient algorithm for contact angle estimation in molecular dynamics simulations. International Journal of Engineering, 9(1), 1-8.

Invited Talks and Lectures

  1. "Coarse Grained Force Field Optimization using Machine Learning Methods", Frontiers in Biomedical Innovation (FBMI), Fall 2023 Symposium, University of New Haven, Nov. 9, 2023.
  2. "A Coarse-grained Molecular Model of Fibrin Polymerization and Characterization", Virtual Symposium by Society for Mathematical Biology, University of California Riverside, June 13-17, 2021.
  3. "Simulation of Fibrin Polymerization using Reactive Dissipative Particle Dynamics", Graduate Seminar-BCHE 8980, University of Georgia, March 2018.
  4. "Bio-Inspired Chip Cooling and Bio-Mechanics of Blood Clots", Graduate Seminar-BCHE 8980, University of Georgia, November 2016.

Conference Talks and Papers (17)

  1. Yesudasan, S. (2024). Wicking characteristics of a heat pipe at nanoscale. ASME 2024 Heat Transfer Summer Conference, K9-09: Nanoscale Thermal Transport Modeling and Machine Learning I, Anaheim, CA, July 15-17, 2024. Paper 132533. https://shtc.secure-platform.com/a/solicitations/220/sessiongallery/15916/application/132533

  2. Basith, I., Obeidat, S., Khan, V., & Yesudasan, S. (2023). WIP: STEM course enhancement: Animated safety modules for freshman circuit class. 2023 IEEE Frontiers in Education Conference (FIE). https://doi.org/10.1109/FIE58773.2023.10343083

  3. Yesudasan, S. (2023). WIP: Bachelor of Science in Engineering Technology with Biomedical Concentration curriculum development. 2023 ASEE Annual Conference & Exposition Proceedings, Biomedical Engineering Division. https://doi.org/10.18260/1-2--42826

  4. Yesudasan, S. (2023). Work in progress: Certification and training for robot and PLC integration. 2023 ASEE Annual Conference & Exposition Proceedings, Faculty Development Division. https://doi.org/10.18260/1-2--44185

  5. Yesudasan, S. (2023). WIP: Certification for adult learners and industry professionals for continuous professional development. 2023 ASEE Annual Conference & Exposition Proceedings, Continuing Professional Development Division. https://doi.org/10.18260/1-2--44070

  6. Yesudasan, S. (2022). Evaporation of water using coarse grain molecular dynamics. ASME International Mechanical Engineering Congress and Exposition, Columbus, OH, Oct. 30-Nov. 3, 2022.

  7. Yesudasan, S., & Wang, X. (2019). A coarse-grained molecular model of fibrin polymerization and characterization. 15th U.S. National Congress on Computational Mechanics, Austin, TX.

  8. Yesudasan, S., & Chacko, S. K. (2018). Fast local pressure estimation for two dimensional systems from molecular dynamics simulations. ASME Power & Energy Conference and Exhibition, Florida. https://doi.org/10.1115/POWER2018-7263

  9. Yesudasan, S., & Maroo, S. C. (2016). Water droplet evaporation and substrate heating using molecular dynamics. ASME HT/FE/ICNNM, Washington, DC.

  10. Yesudasan, S., & Maroo, S. C. (2016). Passive flow and negative pressure at nanoscales using molecular dynamics. ASME HT/FE/ICNNM, Washington, DC.

  11. Yesudasan, S., & Maroo, S. C. (2015). A new algorithm for contact angle estimation in molecular dynamics simulations. ASME InterPACK & ICNMM 2015 Conference, San Francisco, CA. https://doi.org/10.1115/ICNMM2015-48569

  12. Yesudasan, S., & Maroo, S. C. (2015). Droplet evaporation of water on platinum using molecular dynamics simulations. ASME InterPACK & ICNMM 2015 Conference, San Francisco, CA.

  13. Yesudasan, S., & Maroo, S. C. (2015). Continuum simulations of salt solution flow in TMV-based biological membrane for water desalination. ASME InterPACK & ICNMM 2015 Conference, San Francisco, CA.

  14. Yesudasan, S., & Maroo, S. C. (2015). Droplet evaporation simulation of water from platinum substrate using molecular dynamics. 9th International Conference on Boiling and Condensation Heat Transfer, Boulder, CO.

  15. Yesudasan, S., & Maroo, S. C. (2014). Molecular dynamics simulations of water evaporation by substrate heating. ASME International Mechanical Engineering Congress and Exposition, Montreal, Canada.

  16. Yesudasan, S., & Maroo, S. C. (2013). Solid-liquid interfacial heating of water using molecular dynamics. ASME Summer Heat Transfer Conference, Minneapolis, MN.

  17. Yesudasan, S., & Chacko, S. K. (2009). Dynamic analysis of a turbo-alternator shaft using finite element method. International Conference on Advances in Mechanical Engineering, Malaysia.

Preprints and Non-Peer-Reviewed Work (9)

  1. Yesudasan, S. (2022). Critical diameter for continuous evaporation is between 3 nm and 4 nm for hydrophilic nanopores. arXiv. https://arxiv.org/abs/2201.08945

  2. Yesudasan, S. (2021). Generating and managing strong passwords using hotel mnemonic. arXiv. https://arxiv.org/abs/2110.01038

  3. Yesudasan, S. (2021). Achilles: A tool for contact angle estimation from molecular dynamics simulations. Preprints, 2021010148. https://doi.org/10.20944/preprints202101.0148.v1

  4. Yesudasan, S., Averett, R. D., & Chacko, S. (2020). Machine learned coarse grain water models for evaporation studies. Preprints, 2020070126. https://doi.org/10.20944/preprints202007.0126.v1

  5. Sundar, J., Yesudasan, S., & Chacko, S. (2020). A cooperative multi-agent based path-planning and optimization strategy for dynamic environment. Preprints, 2020120307. https://doi.org/10.20944/preprints202012.0307.v1

  6. Hussain, M. A., Yesudasan, S., & Chacko, S. (2020). Nanofluids for solar thermal collection and energy conversion. Preprints, 2020120259. https://doi.org/10.20944/preprints202012.0259.v1

  7. Yesudasan, S. (2020). Practical implementation of molecular dynamics code for beginners using Python. Preprints, 2020120179. https://doi.org/10.20944/preprints202012.0179.v1

  8. Yesudasan, S. (2015). Fast geometric fit algorithm for sphere using exact solution. arXiv. https://arxiv.org/abs/1506.02776

  9. Yesudasan, S., & Chacko, S. (2007). Nonlinear vibration system identification using wavelets. ResearchGate. https://doi.org/10.13140/2.1.3971.6803

Peer-Review Service

  1. Journal of Applied Physics (AIP)
  2. Journal of Molecular Graphics and Modelling (ScienceDirect)
  3. Journal of Mechanical Science and Technology (Springer)
  4. Nano Letters (ACS)
  5. Microsystem Technologies (Springer)
  6. Journal of Vibration and Control (SAGE Journals)
  7. Journal of Chemical Information Modeling (ACS)