Nisanth N. Nair

14 papers Journal 12Unranked 1

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	An interoperable implementation of collective-variable based enhanced sampling methods in extended phase space within the OpenMM package. J. Comput. Chem. Shitanshu Bajpai, Brian K. Petkov, Muchen Tong, Charlles R. A. Abreu, Nisanth N. Nair, Mark E. Tuckerman
2023	J	`jnl`	Temperature Accelerated Sliced Sampling to Probe Ligand Dissociation from Protein. J. Chem. Inf. Model. Shubhandra Tripathi, Nisanth N. Nair
2022	J	`jnl`	Exploration of high dimensional free energy landscapes by a combination of temperature-accelerated sliced sampling and parallel biasing. J. Comput. Chem. Abhinav Gupta, Shivani Verma, Ramsha Javed, Suraj Sudhakar, Saurabh Srivastava, Nisanth N. Nair
2022	J	`jnl`	Improving the scaling and performance of multiple time stepping-based molecular dynamics with hybrid density functionals. J. Comput. Chem. Sagarmoy Mandal, Ritama Kar, Tobias Klöffel, Bernd Meyer, Nisanth N. Nair
2021	J	`jnl`	Boosting the conformational sampling by combining replica exchange with solute tempering and well-sliced metadynamics. J. Comput. Chem. Anji Babu Kapakayala, Nisanth N. Nair
2021	—	`conf`	Deep Neural Network-Based Survival Analysis for Skin Cancer Prediction in Heart Transplant Recipients. EMBC Kuo-Chun Chiu, Dongping Du, Nisanth N. Nair, Yuncheng Du
2021	J	`jnl`	Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapes. J. Comput. Chem. Asit Pal, Subhendu Pal, Shivani Verma, Motoyuki Shiga, Nisanth N. Nair
2020	J	`jnl`	Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane waves. J. Comput. Chem. Sagarmoy Mandal, Nisanth N. Nair
2016	J	`jnl`	CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rh J. Comput. Chem. Sudhir K. Sahoo, Nisanth N. Nair
2016	J	`jnl`	Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics. J. Comput. Chem. Shalini Awasthi, Venkat Kapil, Nisanth N. Nair
2015	J	`jnl`	A potential with low point charges for pure siliceous zeolites. J. Comput. Chem. Sudhir K. Sahoo, Nisanth N. Nair
2015	J	`jnl`	Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle-PMMA from first-principles. J. Comput. Chem. Sadanandam Namsani, Nisanth N. Nair, Jayant K. Singh
2011	—	`ch.`	Constrained Density Functional Theory of Molecular Dimers. High Performance Computing in Science and Engineering Joern-Holger Franke, Nisanth N. Nair, Lifeng Chi, Harald Fuchs
2004	J	`jnl`	Molecular dynamics implementation in MSINDO: Study of silicon clusters. J. Comput. Chem. Nisanth N. Nair, Thomas Bredow, Karl Jug