Calculation of excess free energy of molecular solids comprised of flexible molecules using Einstein molecule method RK Reddy A, SN Punnathanam Molecular Simulation 44 (10), 781-788, 2018 | 7 | 2018 |
Computation of solid–fluid interfacial free energy in molecular systems using thermodynamic integration RKR Addula, SN Punnathanam The Journal of Chemical Physics 153 (15), 2020 | 6 | 2020 |
Review of the Frenkel–Ladd technique for computing free energies of crystalline solids RK Reddy Addula, SK Veesam, SN Punnathanam Molecular Simulation 47 (10-11), 824-830, 2021 | 5 | 2021 |
Kinetic coefficient for ice–water interface from simulated non-equilibrium relaxation at coexistence RKR Addula, B Peters The Journal of Chemical Physics 157 (17), 2022 | 4 | 2022 |
Molecular Theory of Nucleation from Dilute Phases: Formulation and Application to Lennard-Jones Vapor SNP Ravi Kumar Reddy A Physical Review Letters 126 (14), 146001, 2021 | 4 | 2021 |
Computing contact angles for oil-water-rock systems via thermodynamic integration SNP Rohan Patel, Ravi kumar reddy Addula, Majeed Shaik Journal of chemical physics, 2022 | 2 | 2022 |
Ice nucleation from drop-freezing experiments: Impact of droplet volume dispersion and cooling rates. RKR Addula, I de Almeida Ribeiro, V Molinero, B Peters | | 2024 |
Pharmaceutical Digital Design: From Chemical Structure through Crystal Polymorph to Conceptual Crystallization Process CL Burcham, MF Doherty, BG Peters, SL Price, M Salvalaglio, ... | | 2024 |
Study of solvent induced polymorphism and crystal nucleation from solution RKR Addula | | 2021 |