Farnaz Heidar‐Zadeh

Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

Toon Verstraelen, Steven Vandenbrande, Farnaz Heidar‐Zadeh et al. · Journal of Chemical Theory and Computation · 2016 · 256 citations · Full text

Natural Sciences, Chemistry, Physics +17

Information-Theoretic Approaches to Atoms-in-Molecules: Hirshfeld Family of Partitioning Schemes

Farnaz Heidar‐Zadeh, Paul W. Ayers, Toon Verstraelen et al. · The Journal of Physical Chemistry A · 2017 · 170 citations · Full text

Natural Sciences, Chemistry, Physics +8

Nine questions on energy decomposition analysis

Juán Andrés, Paul W. Ayers, Roberto A. Boto et al. · Journal of Computational Chemistry · 2019 · 153 citations · Full text

Natural Sciences, Chemistry, Physical Chemistry +10

NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces

Mojtaba Haghighatlari, Jie Li, Xingyi Guan et al. · Digital Discovery · 2022 · 133 citations · Full text

Computing, Computer Science, Physics +11

Learning to Make Chemical Predictions: The Interplay of Feature Representation, Data, and Machine Learning Methods

Mojtaba Haghighatlari, Jie Li, Farnaz Heidar‐Zadeh et al. · Chem · 2020 · 118 citations · Full text

Computing, Chemistry, Computer Science +16