Małgorzata Z. Makoś

Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential

Shuhao Zhang, Małgorzata Z. Makoś, Ryan B. Jadrich et al. · Nature Chemistry · 2024 · 121 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Generative adversarial networks for transition state geometry prediction

Małgorzata Z. Makoś, Niraj Verma, Eric C. Larson et al. · The Journal of Chemical Physics · 2021 · 52 citations

Natural Sciences, Chemistry, Computational Chemistry +13

New insights into Fe–H$$_{2}$$ and Fe–H$$^{-}$$ bonding of a [NiFe] hydrogenase mimic: a local vibrational mode study

Małgorzata Z. Makoś, Marek Freindorf, Daniel Sethio et al. · Theoretical Chemistry Accounts · 2019 · 36 citations

Natural Sciences, Biochemistry, Chemistry +16

Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes

Riddhi R. Golwankar, Alexander C. Ervin, Małgorzata Z. Makoś et al. · Journal of the American Chemical Society · 2024 · 22 citations · Full text

Natural Sciences, Chemistry, Inorganic Chemistry +15

Metal–ring interactions in actinide sandwich compounds: A combined normalized elimination of the small component and local vibrational mode study

Małgorzata Z. Makoś, Wenli Zou, Marek Freindorf et al. · Molecular Physics · 2020 · 20 citations

Natural Sciences, Chemistry, Physics +17