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 mentorKeijo 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 |
BETA: Related publications
See more...
Publications
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
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 |
Smith DGA, Burns LA, Simmonett AC, et al. (2020) Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of Chemical Physics. 152: 184108 |
Lehtola S, Visscher L, Engel E. (2020) Efficient implementation of the superposition of atomic potentials initial guess for electronic structure calculations in Gaussian basis sets. The Journal of Chemical Physics. 152: 144105 |