Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations VA Harmandaris, NP Adhikari, NFA van der Vegt, K Kremer Macromolecules 39 (19), 6708-6719, 2006 | 409 | 2006 |
Band gap tunning in BN-doped graphene systems with high carrier mobility Kaloni TP, Joshi RP, Adhikari NP, Schwingenschlögl Applied Physics Letters 104, 073116, 2014 | 96 | 2014 |
Ethylbenzene diffusion in polystyrene: United atom atomistic/coarse grained simulations and experiments VA Harmandaris, NP Adhikari, NFA van der Vegt, K Kremer, BA Mann, ... Macromolecules 40 (19), 7026-7035, 2007 | 76 | 2007 |
Temperature dependence of diffusion coefficient of carbon monoxide in water: A molecular dynamics study I Poudyal, NP Adhikari Journal of Molecular Liquids 194, 77-84, 2014 | 49 | 2014 |
First-principles study of the interaction of hydrogen molecular on Na-adsorbed graphene N Pantha, K Belbase, NP Adhikari Applied Nanoscience 5 (4), 393-402, 2015 | 30 | 2015 |
Molecular dynamics study of diffusion of heavy water in normal water at different temperatures U Dahal, NP Adhikari Journal of Molecular Liquids 167, 34-39, 2012 | 29 | 2012 |
Structure, electronic and magnetic properties of 2D Graphene-Molybdenum diSulphide (G-MoS2) Heterostructure (HS) with vacancy defects at Mo sites HK Neupane, NP Adhikari Computational Condensed Matter 24, e00489, 2020 | 28 | 2020 |
Effects of slip on the viscosity of polymer melts NP Adhikari, JL Goveas Journal of Polymer Science Part B: Polymer Physics 42 (10), 1888-1904, 2004 | 28 | 2004 |
Mixing behaviour of Ni–Al melt at 1873 K SK Yadav, S Lamichhane, LN Jha, NP Adhikari, D Adhikari Physics and Chemistry of Liquids 54 (3), 370-383, 2016 | 26 | 2016 |
Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures S Patel, U Dey, NP Adhikari, A Taraphder Physical Review B 106 (3), 035125, 2022 | 23 | 2022 |
First-principles study of structure, electronic, and magnetic properties of C sites vacancy defects in water adsorbed graphene/MoS2 van der Waals heterostructures HK Neupane, NP Adhikari Journal of Molecular Modeling 27 (3), 82, 2021 | 21 | 2021 |
First-principles study of the stability of graphene and adsorption of halogen atoms (F, Cl and Br) on hydrogen passivated graphene DB Karki, NP Adhikari International Journal of Modern Physics B 28 (21), 1450141, 2014 | 21 | 2014 |
A molecular dynamics study of oxygen gas in water at different temperatures SK Thapa, NP Adhikari International Journal of Modern Physics B 27 (08), 1350023, 2013 | 19 | 2013 |
Tuning Structural, Electronic, and Magnetic Properties of C Sites Vacancy Defects in Graphene/MoS2 van der Waals Heterostructure Materials: A First‐Principles … HK Neupane, NP Adhikari Advances in Condensed Matter Physics 2020 (1), 8850701, 2020 | 18 | 2020 |
A study of magnetism in disordered Pt–Mn, Pd–Mn and Ni–Mn alloys: an augmented space recursion approach GC Kaphle, S Ganguly, R Banerjee, R Banerjee, R Khanal, CM Adhikari, ... Journal of Physics: Condensed Matter 24 (29), 295501, 2012 | 18 | 2012 |
Transport properties of methane, ethane, propane, and n-butane in water S Pokharel, N Aryal, BR Niraula, A Subedi, NP Adhikari Journal of Physics Communications 2 (6), 065003, 2018 | 17 | 2018 |
Diffusion coefficients of nitric oxide in water: A molecular dynamics study S Pokharel, N Pantha, NP Adhikari International Journal of Modern Physics B 30 (27), 1650205, 2016 | 17 | 2016 |
Temperature dependence of diffusion coefficient of nitrogen gas in water: A molecular dynamics study K Sharma, NP Adhikari International Journal of Modern Physics B 28 (14), 1450084, 2014 | 17 | 2014 |
First-principles study of adsorption of alkali metals (Li, Na, K) on graphene BD Oli, C Bhattarai, B Nepal, NP Adhikari Advanced Nanomaterials and Nanotechnology: Proceedings of the 2nd …, 2013 | 17 | 2013 |
Effect of vacancy defects in 2D vdW graphene/h-BN heterostructure: First-principles study HK Neupane, NP Adhikari AIP Advances 11 (8), 2021 | 15 | 2021 |