$ ls publications/ --sort=date

publications

2026

  1. SeQuant framework for symbolic and numerical tensor algebra. I. Core capabilities
    B. Gaudel, R. G. Adam, A. Melekamburath, C. Masteran, N. Teke, A. Besharatnik, A. Köhn, E. F. Valeev
    The Journal of Chemical Physics
    doi:10.1063/5.0311913
  2. Adsorption of Aromatic Hydrocarbons on Graphene: From Energy Decomposition to Stable Adsorption Geometries
    M. Rajeevan, A. Melekamburath, R. S. Swathi
    Chemistry – An Asian Journal
    doi:10.1002/asia.70603

2024

  1. “Best” Iterative Coupled-Cluster Triples Model? More Evidence for 3CC
    N. K. Teke, A. Melekamburath, B. Gaudel, E. F. Valeev
    The Journal of Physical Chemistry A
    doi:10.1021/acs.jpca.4c04667

2022

  1. A journey toward the heaven of chemical fidelity of intermolecular force fields
    A. James, C. John, A. Melekamburath, M. Rajeevan, R. S. Swathi
    WIREs Computational Molecular Science
    doi:10.1002/wcms.1599

2021

  1. In pursuit of accurate interlayer potentials for twisted bilayer graphynes
    A. Melekamburath, A. James, M. Rajeevan, C. John, R. S. Swathi
    Physical Chemistry Chemical Physics
    doi:10.1039/d1cp03637h