Items where Author is "Kayal, Abhijit"

Kayal, Abhijit ; Chandra, Amalendu (2019) Water in Confinement between Nanowalls: Results for Hexagonal Boron Nitride versus Graphene Sheets from Ab Initio Molecular Dynamics The Journal of Physical Chemistry C, 123 (10). pp. 6130-6140. ISSN 1932-7447

Kayal, Abhijit ; Chandra, Amalendu (2017) Infrared Spectral and Dynamical Properties of Water Confined in Nanobubbles at Hybrid Interfaces of Diamond and Graphene: A Molecular Dynamics Study The Journal of Physical Chemistry C, 121 (42). pp. 23455-23462. ISSN 1932-7447

Kayal, Abhijit ; Chandra, Amalendu (2017) Orientational order and dynamics of interfacial water near a hexagonal boron-nitride sheet: An ab initio molecular dynamics study The Journal of Chemical Physics, 147 (16). p. 164704. ISSN 0021-9606

Kayal, Abhijit ; Chandra, Amalendu (2015) Exploring the structure and dynamics of nano-confined water molecules using molecular dynamics simulations Molecular Simulation, 41 (5-6). pp. 463-470. ISSN 0892-7022

Kayal, Abhijit ; Chandra, Amalendu (2015) Wetting and dewetting of narrow hydrophobic channels by orthogonal electric fields: Structure, free energy, and dynamics for different water models The Journal of Chemical Physics, 143 (22). p. 224708. ISSN 0021-9606