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Susi Lehtola

Jussi Lehtola

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affiliation: University of Helsinki, Department of Physics, Finland

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2020 – today

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2021
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  - journals/corr/abs-2110-11678
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Muhammad Firmansyah Kasim, Susi Lehtola, Sam M. Vinko:
DQC: a Python program package for Differentiable Quantum Chemistry. CoRR abs/2110.11678 (2021)

2010 – 2019

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2018
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Susi Lehtola, Conrad Steigemann, Micael J. T. Oliveira, Miguel A. L. Marques:
Recent developments in libxc - A comprehensive library of functionals for density functional theory. SoftwareX 7: 1-5 (2018)
2015
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Susi Lehtola:
Automatic algorithms for completeness-optimization of Gaussian basis sets. J. Comput. Chem. 36(5): 335-347 (2015)
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Elvar Örn Jónsson, Susi Lehtola, Hannes Jónsson:
Towards an Optimal Gradient-dependent Energy Functional of the PZ-SIC Form. ICCS 2015: 1858-1864
2012
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Jussi Lehtola, Mikko Hakala, Arto Sakko, Keijo Hämäläinen:
ERKALE - A flexible program package for X-ray properties of atoms and molecules. J. Comput. Chem. 33(18): 1572-1585 (2012)

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