Namsani Sadanandam

Education / Work History

Research Topic / Interest

  • Multi-scale molecular modeling and simulations
  • Development of all-atom force fields to treat crystals, surface-polymer interfaces
  • Adsorption in porous materials
  • Thermal conductivity and interface thermal resistance
  • Thermoelectric materials for energy efficient technologies
  • Adsorption and selective separation
  • Thermophysical properties and free energy calculations
  • Ab-initio molecular dynamics, DFT calculations
  • Non-equilibrium molecular dynamics (NEMD)

Current Research Work

Working on development of force-field development of various adsorbents on organic materials and solid materials. Flow Chart

Publications

These include only those published in our lab.

  1. Namsani, S., & Singh, J. K. (2018). Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study. The Journal of Physical Chemistry C, 122(4), 2113–2121. https://doi.org/10/gc5qf7
  2. Namsani, S., Auluck, S., & Singh, J. K. (2017). Thermal Conductivity of Thermoelectric Material β-Cu \textsubscript2 Se: Implications on Phonon Thermal Transport. Applied Physics Letters, 111(16), 163903. https://doi.org/10.1063/1.4999405
  3. Namsani, S., Gahtori, B., Auluck, S., & Singh, J. K. (2017). An Interaction Potential to Study the Thermal Structure Evolution of a Thermoelectric Material: β-Cu \textsubscript2 Se. Journal of Computational Chemistry, 38(25), 2161–2170. https://doi.org/10/gbk96t
  4. Namsani, S., Nair, N. N., & Singh, J. K. (2015). Interaction Potential Models for Bulk Zns, Zns Nanoparticle, and Zns Nanoparticle-PMMA from First-Principles: Interaction Potential for Bulk ZnS, ZnS Nanoparticle, and ZnS Nanoparticle-PMMA. Journal of Computational Chemistry, 36(15), 1176–1186. https://doi.org/10/f7b4mh
  5. Namsani, S., Nair, N. N., & Singh, J. K. (2015). Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle-PMMA from first-principles. Journal of Computational Chemistry, 36(15), 1176–1186.
  6. Namsani, S., & Singh, J. K. (2016). Dewetting dynamics of a gold film on graphene: implications for nanoparticle formation. Faraday Discussions, 186, 153–170.
  7. Namsani, S., Gahtori, B., Auluck, S., & Singh, J. K. (2017). An interaction potential to study the thermal structure evolution of a thermoelectric material: β-Cu2Se. Journal of Computational Chemistry, 38(25), 2161–2170.
  8. Namsani, S., Auluck, S., & Singh, J. K. (2017). Thermal conductivity of thermoelectric material β-Cu2Se: Implications on phonon thermal transport. Applied Physics Letters, 111(16), 163903.
  9. Namsani, S., & Singh, J. K. (2018). Enhancement of Thermal Energy Transport across the Gold–Graphene Interface Using Nanoscale Defects: A Molecular Dynamics Study. The Journal of Physical Chemistry C, 122(4), 2113–2121.

Conferences

  1. S. Namsani and J.K. Singh, Tuning the gold-graphene interface thermal conductance using the nano-defects in graphene, International Conference on Molecular Simulation (ICMS), Shanghai, China (2016).
  2. S. Namsani and J.K. Singh, Dewetting dynamics of gold film on graphene: Implications for nanoparticle formation, Faraday Discussion on Nanopar- ticle Assembly: From Fundamentals to Applications, Faraday Discussion, IIT Mumbai, India (2016).
  3. A. Kommu, S. Namsani and J.K. Singh, Molecular Dynamics Simula- tions of Heavy Metal Ion Rejection Through Functionalized Nanopores Graphene Membrane, ChEmference, IIT Hyderabad, India (2015).
  4. S. Namsani, N.N. Nisanth and J.K. Singh, A DFT Study on the Interaction of PMMA polymer Chains with ZnS Nanoparticle, Theoretical Chemistry Symposium (TCS), NCL-PUNE, India (2014).
  5. A. Kommu, S. Namsani, and J.K. Singh, Adsorption of Heavy Metal Ions From Aqueous Media Using Carbon Nanotubes: A Molecular Dynam- ics Study, Theoretical Chemistry Symposium (TCS), NCL-PUNE, India (2014).
  6. S. Namsani, N.N. Nisanth and J.K. Singh, Structural, optical and elec- tronic properties of PMMA and ZnS nanocomposite using DFT and Molec- ular Dynamics, CTTC, BARC-Mumbai, India (2013).
  7. S. Namsani, S. Tulishetti, and S. Khan. Sr +2 ion removal from efflu- ents using Molecular Dynamic studies, CPMD Meeting, Barcelona, Spain (2011).
  8. S. Namsani, R. Gudipati, T. Ajay Krishna, V.V. Basava Rao, Ch. Sailu and S. Ram Mohan Rao, Fixed bed adsorption studies on color removal from textile effluents, Chemcon, Delhi, India (2003).
  9. S. Namsani, R. Renukunta, T. Rabindranath, Gasification of paper indus- try effluent, Fusion, JNTU, Anthapuram, Andhra Pradesh, India (2002).