Susi Lehtola, Ph.D.
Affiliations: | University of Helsinki, Helsingfors, Finland |
Area:
electronic structure theoryWebsite:
http://www.helsinki.fi/~jzlehtol/Google:
"Susi Lehtola"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Keijo Johannes Hämäläinen | grad student | 2013 | Univ. Helsinki (Physics Tree) |
| Hannes Jónsson | post-doc | 2013-2014 | Aalto University |
| Martin Head-Gordon | post-doc | 2014-2017 | Lawrence Berkeley National Lab, UC Berkeley |
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Publications
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| Ahmed U, Johansson MP, Lehtola S, et al. (2025) Density functional benchmark for quadruple hydrogen bonds. Physical Chemistry Chemical Physics : Pccp |
| Åström H, Lehtola S. (2025) Systematic Study of Hard-Wall Confinement-Induced Effects on Atomic Electronic Structure. The Journal of Physical Chemistry. A |
| Lehtola S, Marques MAL. (2023) Reproducibility of density functional approximations: How new functionals should be reported. The Journal of Chemical Physics. 159 |
| Lehtola S. (2023) Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets. Journal of Chemical Theory and Computation. 19: 6242-6254 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Lehtola S. (2023) Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials. The Journal of Physical Chemistry. A. 127: 4180-4193 |
| Trepte K, Schwalbe S, Liebing S, et al. (2021) Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking. The Journal of Chemical Physics. 155: 224109 |
| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Schwalbe S, Fiedler L, Kraus J, et al. (2020) PyFLOSIC: Python-based Fermi-Löwdin orbital self-interaction correction. The Journal of Chemical Physics. 153: 084104 |
| Sun Q, Zhang X, Banerjee S, et al. (2020) Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109 |