Vapor–liquid phase coexistence curves for Morse fluids JK Singh, J Adhikari, SK Kwak Fluid phase equilibria 248 (1), 1-6, 2006 | 86 | 2006 |

Molecular simulation study of miscibility of ternary and quaternary InGaAlN alloys J Adhikari, DA Kofke Journal of applied physics 95 (11), 6129-6137, 2004 | 51 | 2004 |

Molecular simulation study of miscibility in ternary alloys J Adhikari, DA Kofke Journal of applied physics 95 (8), 4500-4502, 2004 | 40 | 2004 |

Thermodynamic modeling of phase equilibria of clathrate hydrates formed from CH4, CO2, C2H6, N2 and C3H8, with different equations of state DR Bhawangirkar, J Adhikari, JS Sangwai The Journal of Chemical Thermodynamics 117, 180-192, 2018 | 35 | 2018 |

A review on property estimation methods and computational schemes for rational solvent design: a focus on pharmaceuticals M Harini, J Adhikari, KY Rani Industrial & Engineering Chemistry Research 52 (21), 6869-6893, 2013 | 32 | 2013 |

Design of an ionic liquid as a solvent for the extraction of a pharmaceutical intermediate M Harini, S Jain, J Adhikari, SB Noronha, KY Rani Separation and Purification Technology 155, 45-57, 2015 | 24 | 2015 |

Variational formula for the free energy based on incomplete sampling in a molecular simulation N Lu, J Adhikari, DA Kofke Physical Review E 68 (2), 026122, 2003 | 20 | 2003 |

Monte Carlo and cell model calculations for the solid—fluid phase behaviour of the triangle-well model J Adhikari, DA Kofke Molecular Physics 100 (10), 1543-1550, 2002 | 18 | 2002 |

Structural characterization of III–V zinc blende compound semiconductors using Monte Carlo simulations P Rathi, S Sikder, J Adhikari Computational materials science 65, 122-126, 2012 | 14 | 2012 |

Prediction of thermodynamic properties of levulinic acid via molecular simulation techniques T Chakraborti, A Desouza, J Adhikari ACS omega 3 (12), 18877-18884, 2018 | 9 | 2018 |

Prediction of fluid phase equilibria and interfacial tension of triangle-well fluids using transition matrix Monte Carlo A Sengupta, J Adhikari Chemical Physics 469, 16-24, 2016 | 9 | 2016 |

Study of structural and thermodynamic properties of GaAs and InAs using Monte Carlo simulations J Adhikari, A Kumar Molecular Simulation 33 (8), 623-628, 2007 | 9 | 2007 |

Computer‐Aided Solvent Selection and Design for the Efficient Extraction of a Pharmaceutical Molecule KN Shankar, J Adhikari, SB Noronha The Canadian Journal of Chemical Engineering 97, 1605-1618, 2019 | 8 | 2019 |

Phase equilibria and critical point predictions of mixtures of molecular fluids using grand canonical transition matrix Monte Carlo T Chakraborti, J Adhikari Industrial & Engineering Chemistry Research 56 (22), 6520-6534, 2017 | 8 | 2017 |

Prediction of Vapor–Liquid Coexistence Data for *p*-Cymene Using Equation of State Methods and Monte Carlo SimulationsM Harini, J Adhikari, KY Rani Journal of Chemical & Engineering Data 59 (10), 2987-2994, 2014 | 7 | 2014 |

Molecular simulation study of the structural properties in InxGa1− xAs alloys: Comparison between Valence Force Field and Tersoff potential models J Adhikari Computational materials science 43 (4), 616-622, 2008 | 7 | 2008 |

Fluid phase equilibria of triangle-well fluids confined inside slit pores: A transition matrix Monte Carlo simulation study A Sengupta, J Adhikari Journal of Molecular Liquids 221, 1184-1196, 2016 | 6 | 2016 |

Molecular simulation study of triangle-well fluids confined in slit pores A Sengupta, P Behera, J Adhikari Molecular Physics 112 (15), 1969-1978, 2014 | 6 | 2014 |

Molecular simulation study of vapor-liquid equilibrium of morse fluids SK Kwak, JK Singh, J Adhikari Chemical Product and Process Modeling 2 (3), 2007 | 6 | 2007 |

Interfacial properties of Morse fluids JK Singh, J Adhikari, SK Kwak Molecular Physics 105 (8), 981-987, 2007 | 6 | 2007 |