All Publications

C. Burcham, M. Doherty, B. Peters, S. Price, M. Salvalaglio, S. Reutzel-Edens, L. Price, R. R. Addula, N. Francia, V. Khanna, and Y. Zhao,"Pharmaceutical digital design: from chemical structure through crystal polymorph to conceptual crystallization process", Crystal Growth & Design, vol.24, no.13, pp.5417-5438, ACS Publications 2024, 10.1021/acs.cgd.3c01390       Article

R. R. Addula, I. A. Ribeiro, V. Molinero, and B. Peters,"Modeling homogeneous ice nucleation from drop-freezing experiments: impact of droplet volume dispersion and cooling rates", Atmospheric Chemistry and Physics, vol.24, no.18, pp.10833–10848, European Geoscience Union 2024, 10.5194/acp-24-10833-2024       Article

R. R. Addula and S. N. Punnathanam,"Computation of solid–fluid interfacial free energy in molecular systems using thermodynamic integration", The Journal of Chemical Physics, vol.153, no.15, American Institute of Physics, October 2020, https://doi.org/10.1063/5.0028653       Article

R. R. Addula, S. K. Veesam, and S. N. Punnathanam,"Review of the Frenkel–Ladd technique for computing free energies of crystalline solids", Molecular Simulation, vol.47, no.10-11, pp.824-830, Taylor and Francis, June 2020, https://doi.org/10.1080/08927022.2020.1775221       Article

R. R. Addula and S. N. Punnathanam,"Calculation of excess free energy of molecular solids comprised of flexible molecules using Einstein molecule method", Molecular Simulation, vol.44, no.10, pp.781-788, Taylor and Francis, March 2018, https://doi.org/10.1080/08927022.2018.1450984       Article