1. Kishant Kumar*, Sonanki Keshri, Anand Bharti, Shailesh Kumar, and Santosh Mogurampelly. "Solubility of Gases in Choline Chloride based Deep Eutectic Solvents from Molecular Dynamics Simulation." Industrial & Engineering Chemistry Research 61, 13, 4659–4671, (2022)

2. Kishant Kumar*, Anand Bharti, and Santosh Mogurampelly. "Insights on choline chloride–based deep eutectic solvent (reline)+ primary alcohol mixtures: a molecular dynamics simulation study." Journal of Molecular Modeling 28.2 : 1-14 (2022)

3. Kishant Kumar*, Anand Bharti, Rudra Kumar; Molecular insight into the structure and dynamics of LiTf₂N/deep eutectic solvent: an electrolyte for Li-ion batteries, Molecular Simulation, 1-16 (2021)

4. Soumya Lipsa Rath, Kishant Kumar; Investigation of the effect of temperature on the structure of SARS-Cov-2 Spike Protein by Molecular Dynamics Simulations, Frontiers in Molecular Biosciences, 7 (2020)

5. Projesh Kumar Roy, Kishant Kumar, Foram M Thakkar, Amar Deep Pathak, K Ganapathy Ayappa, Prabal K Maiti; Investigations on 6FDA/BPDA-DAM polymer melt properties and CO2 adsorption using molecular dynamics simulations, Journal of Membrane Science, 613, 118377 (2020)

6. Kishant Kumar and Amit Kumar; Enhanced CO2 Adsorption and Separation in Ionic Liquid-Mesoporous Silica MCM-41: A molecular Simulation Study, J. Phys.Chem. C., 122(15), 8216-8227 (2018)

7. Kishant Kumar and Amit Kumar; Adsorptive Separation of Carbon Dioxide from Flue Gas using Mesoporous MCM 41: A Molecular Simulation Study, Korean J. Chem. Eng., 35(2), 535-547 (2018)

8. Kishant Kumar and Amit Kumar; Adsorption and Separation of CO2 , CH4 , and N2 in Zirconium-based MOFs UiO-66 and UiO-67: A Comparative Molecular Simulation Study, Submitted to Microporous Mesoporous Mater.

9. Kishant Kumar and Amit Kumar; Adsorption and Separation of CO2 , CH4 , and N2 on Functionalized Cu-BTC Metal Organic Frameworks, To be Submitted.

1. Enhanced adsorptive separation of carbon dioxide in mesoporous silica MCM-41 through incorporation of ionic liquids: A computational study, 23 rd International Congress of Chemical and Process Engineering ‘CHISA 2018’, Prage, Czech Republic, August 25-29, 2018

2. Molecular Simulation of Adsorptive CO2 Capture using Zr-based Metal-Organic Frameworks, 2 nd ISEES International Conference on Sustainable Energy and Environmental Challenges ‘SEEC 2018’, IISc Bangalore, India, December 31 - January 3, 2018

3. Adsorptive Separation of Methane and Ethane using Functionalized Cu-BTC: A Grand Canonical Monte Carlo Simulation Study, 5 th International Conference on Advanced Nanomaterials and Nanotechnology ‘ICANN 2017’, IIT Guwahati, India. December 18-21, 2017

4. Molecular Simulation of Adsorption of Small Hydrocarbons on MCM-41, 68 th Annual Session of Indian Institute of Chemical Engineers, ‘CHEMCON 2015’, IIT Guwahati, India. December 27-30, 2015

5. Fabrication of Mesoporous Silica MCM-41 via Sol-Gel and Hydrothermal Methods for Amine Grafting and CO2 Capture Application, International Conference on Environmentally Sustainable Urban Ecosystems ‘ENSURE-2012’, IIT Guwahati, India. February 24-26, 2012