| Hydrogen-bond dynamics at the bio–water interface in hydrated proteins: a molecular-dynamics study PK Nandi, NJ English, Z Futera, A Benedetto Physical Chemistry Chemical Physics 19 (1), 318-329, 2017 | 36 | 2017 |
| Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals PK Nandi, MC Valsakumar, S Chandra, HK Sahu, CS Sundar Journal of Physics: Condensed Matter 22 (34), 345501, 2010 | 34 | 2010 |
| Room-temperature ferromagnetism in carbon-doped for spintronic applications: A density functional theory study B Chakraborty, PK Nandi, Y Kawazoe, LM Ramaniah Physical Review B 97 (18), 184411, 2018 | 30 | 2018 |
| Waxing and waning of dynamical heterogeneity in the superionic state A Annamareddy, PK Nandi, X Mei, J Eapen Physical review E 89, 010301, 2013 | 27 | 2013 |
| Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice I c PK Nandi, CJ Burnham, NJ English Physical Chemistry Chemical Physics 20 (12), 8042-8053, 2018 | 19 | 2018 |
| Ice-Amorphization of Supercooled Water Nanodroplets in No Man’s Land PK Nandi, CJ Burnham, Z Futera, NJ English ACS Earth and Space Chemistry 1 (4), 187-196, 2017 | 19 | 2017 |
| Role of Hydration Layer in Dynamical Transition in Proteins: Insights from Translational Self-Diffusivity PK Nandi, N English The Journal of Physical Chemistry B 120 (47), 12031-12039, 2016 | 15 | 2016 |
| Double life of methanol: experimental studies and nonequilibrium molecular-dynamics simulation of methanol effects on methane-hydrate nucleation M Lauricella, MR Ghaani, PK Nandi, S Meloni, B Kvamme, NJ English The Journal of Physical Chemistry C 126 (13), 6075-6081, 2022 | 14 | 2022 |
| SixC1− xO2 alloys: A possible route to stabilize carbon-based silica-like solids? A Aravindh, A Arkundato, S Barman, S Baroni, BL Bhargava, ... Solid state communications 144 (7-8), 273-276, 2007 | 14 | 2007 |
| Perturbation of hydration layer in solvated proteins by external electric and electromagnetic fields: Insights from non-equilibrium molecular dynamics PK Nandi, Z Futera, NJ English The Journal of Chemical Physics 145, 205101, 2016 | 13 | 2016 |
| Electro-suppression of water nano-droplets’ solidification in no man’s land: Electromagnetic fields’ entropic trapping of supercooled water PK Nandi, CJ Burnham, NJ English The Journal of Chemical Physics 148 (4), 044503, 2018 | 9 | 2018 |
| Pressure-Induced Densification of Ice Ih under Triaxial Mechanical Compression: Dissociation versus Retention of Crystallinity for Intermediate States in Atomistic … Q Guo, MR Ghaani, PK Nandi, NJ English The Journal of Physical Chemistry Letters 9 (18), 5267-5274, 2018 | 8 | 2018 |
| Microbial stabilization and kinetic enhancement of marine methane hydrates MR Ghaani, CCR Allen, JM Young, PK Nandi, SU Dandare, T Skvortsov, ... Geomicrobiology Journal 37 (3), 279-286, 2020 | 5 | 2020 |
| Investigation of Dipolar Response of the Hydrated Hen-Egg White Lysozyme Complex under Externally Applied Electric Fields: Insights from Non-equilibrium Molecular Dynamics HL Wu, MR Ghaani, PK Nandi, NJ English The Journal of Physical Chemistry B 126 (4), 858-868, 2022 | 4 | 2022 |
| Nitrogen doping in non-magnetic yttrium oxide: Induction of room temperature ferromagnetism from first principles simulations B Chakraborty, PK Nandi, A Kundu, Y Kawazoe Journal of Magnetism and Magnetic Materials 528, 167840, 2021 | 4 | 2021 |
| Cascade overlap in hcp zirconium: defect accumulation and microstructure evolution with radiation using molecular dynamics simulations PK Nandi, J Eapen MRS Online Proceedings Library (OPL) 1514, 37-42, 2013 | 4 | 2013 |
| Infrared spectra and density of states at the interface between water and protein: Insights from classical molecular dynamics JA Martinez-Gonzalez, PK Nandi, NJ English, AA Gowen Chemical Physics Letters 757, 137867, 2020 | 3 | 2020 |
| Silica encapsulated ni nanoparticles: variation of optical and magnetic properties with particle size S Das, SK Panda, P Nandi, S Chaudhuri, A Pandey, R Ranganathan Journal of Nanoscience and Nanotechnology 7 (12), 4447-4455, 2007 | 3 | 2007 |
| Displacement cascades in twist and tilt grain boundaries in Fe-bicrystal: Molecular dynamics studies M Dholakia, PK Nandi, MC Valsakumar AIP Conference Proceedings 1665 (1), 080049, 2015 | 2 | 2015 |
| Role of Σ5, (210), [001] CSL boundary on displacement cascade in bcc Fe PK Nandi, M Dholakia, MC Valsakumar AIP Conference Proceedings 1447 (1), 743-744, 2012 | 2 | 2012 |
ValsakumarIIT PalakkadVerified email at iitpkd.ac.in
