Nisanth N. Nair
Orcid: 0000-0001-8650-8873
According to our database1,
Nisanth N. Nair
authored at least 13 papers
between 2004 and 2023.
Collaborative distances:
Collaborative distances:
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Bibliography
2023
J. Chem. Inf. Model., August, 2023
An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package.
J. Comput. Chem., 2023
2022
Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals.
J. Comput. Chem., 2022
Exploration of high dimensional free energy landscapes by a combination of temperature-accelerated sliced sampling and parallel biasing.
J. Comput. Chem., 2022
2021
Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes.
J. Comput. Chem., 2021
Boosting the conformational sampling by combining replica exchange with solute tempering and well-sliced metadynamics.
J. Comput. Chem., 2021
Deep Neural Network-Based Survival Analysis for Skin Cancer Prediction in Heart Transplant Recipients.
Proceedings of the 43rd Annual International Conference of the IEEE Engineering in Medicine & Biology Society, 2021
2020
Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves.
J. Comput. Chem., 2020
2016
CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rh<sub><i>n</i></sub> clusters.
J. Comput. Chem., 2016
Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics.
J. Comput. Chem., 2016
2015
J. Comput. Chem., 2015
Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle-PMMA from first-principles.
J. Comput. Chem., 2015
2004
J. Comput. Chem., 2004