3 papers
cond-mat.soft2026
Beyond second-long trajectory of the Trp-cage peptide generated using a Kinetic Monte Carlo model derived from molecular dynamics
Abhijit Chatterjee, Rishav Deb, Gauri Thapa +1
We present a kinetic Monte Carlo (KMC) modeling approach to describe the stochastic dynamics of a peptide molecule spanning nanosecond to second timescales. The dynamics of protein…
cond-mat.other2022
Relaxation dynamics in reverse Monte Carlo
Akash Kumar Ball, Suhail Haque, Abhijit Chatterjee
The reverse Monte Carlo (RMC) method is widely used in structural modelling and analysis of experimental data. More recently, RMC has been applied to the calculation of equilibrium…
cond-mat.mtrl-sci2018
Morphology dependent surface properties of nanostructured GaN films grown by molecular beam epitaxy
Abhijit Chatterjee, S. P. Swathi, S. M. Shivaprasad
The effect of film morphology on its surface chemistry and band structure has been analyzed for gallium nitride epitaxial films grown by molecular beam epitaxy. The film morphology…