• Hrushikesh M. Gade and Piyush P. Wanjari* “Molecular Dynamics Simulations of Water‐Mediated Cholesterol Capture within an Open‐Ended Single‐Walled Carbon Nanotube” ChemPhysChem, 2019, 20, 142-147

• Hrushikesh M. Gade, Srihas V. V. Velpuri, and Piyush P. Wanjari* “Conformational rearrangements in n-alkanes encapsulated within capsular self-assembly of capped carbon nanotubes” Chemical Physics, 2019, 517, 198-207

• Srihas V.V. Velpuri, Hrushikesh M. Gade and Piyush P. Wanjari* "Encapsulation driven folding and unfolding of n-alkanes inside a hydrogen-bonded supramolecular cavitand assembly" Chemical Physics, 2019, 521, 100-107

• Hrushikesh M. Gade, Piyush P. Wanjari*, and Srihas V. V. Velpuri “Water-mediated curvature change in graphene by single-walled carbon nanotube” Physical Chemistry Chemical Physics, 2018, 20, 22359-22367

• Piyush P. Wanjari, Bruce C. Gibb, and Henry S. Ashbaugh* “Simulation optimization of spherical non-polar guest recognition by deep-cavity cavitands” Journal of Chemical Physics, 2013, 139, 234502

• Piyush P. Wanjari, Ashish V. Sangwai, and Henry S. Ashbaugh* “Confinement induced conformational changes in n-alkanes sequestered within a narrow carbon nanotube” Physical Chemistry Chemical Physics, 2012, 14, 2702-2709

*Corresponding author