Nisanth N. Nair

Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle‐PMMA from first‐principles

Sadanandam Namsani, Nisanth N. Nair, Jayant K. Singh, 2015, J. Comput. Chem..

Molecular dynamics implementation in MSINDO: Study of silicon clusters

Nisanth N. Nair, Thomas Bredow, Karl Jug, 2004, J. Comput. Chem..

Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves

Nisanth N. Nair, Sagarmoy Mandal, Sagarmoy Mandal, 2020, J. Comput. Chem..

A potential with low point charges for pure siliceous zeolites

Nisanth N. Nair, Sudhir K. Sahoo, S. Sahoo, 2015, J. Comput. Chem..

CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rhn clusters

Nisanth N. Nair, Sudhir K. Sahoo, S. Sahoo, 2016, J. Comput. Chem..

Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics

Nisanth N. Nair, Venkat Kapil, Shalini Awasthi, 2015, J. Comput. Chem..

Deep Neural Network-Based Survival Analysis for Skin Cancer Prediction in Heart Transplant Recipients

Dongping Du, Yuncheng Du, Nisanth N. Nair, 2021, 2021 43rd Annual International Conference of the IEEE Engineering in Medicine & Biology Society (EMBC).

Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes

Nisanth N. Nair, Shivani Verma, Motoyuki Shiga, 2021, J. Comput. Chem..

Deacylation Mechanism and Kinetics of Acyl-Enzyme Complex of Class C β-Lactamase and Cephalothin.

Nisanth N. Nair, N. N. Nair, R. Tripathi, 2016, The journal of physical chemistry. B.

Mechanism of acyl-enzyme complex formation from the Henry-Michaelis complex of class C β-lactamases with β-lactam antibiotics.

Nisanth N. Nair, N. N. Nair, R. Tripathi, 2013, Journal of the American Chemical Society.

Molecular dynamics investigation of water adsorption on rutile surfaces

Nisanth N. Nair, Thomas Bredow, Karl Jug, 2005 .