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Susi Lehtola | Researchclopedia

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Susi Lehtola

University of Helsinki ORCID

105

Works

6,852

Citations

31

h-index

53

i10-index

Research Topics

Advanced Chemical Physics Studies Machine Learning in Materials Science Spectroscopy and Quantum Chemical Studies

Affiliations

University of Southern California2021–2021

University of Helsinki2010–2025

Lawrence Berkeley National Laboratory2015–2025

Helsinki Institute of Physics2011–2025

European Synchrotron Radiation Facility2010–2010

Top Works

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky,Andrew T. B. Gilbert,et al.

20211,282 citations

Catalysis and Oxidation Reactions

Scientific Computing and Data Management

Recent developments in the P<scp>y</scp>SCF program package

Qiming Sun,Xing Zhang,et al.

20201,069 citations

P <scp>SI4</scp> 1.4: Open-source software for high-throughput quantum chemistry

Daniel G. A. Smith,Lori A. Burns,et al.

2020950 citations

Recent developments in libxc — A comprehensive library of functionals for density functional theory

Susi Lehtola,Conrad Steigemann,et al.

2017862 citations

The OpenMolcas <i>Web</i> : A Community-Driven Approach to Advancing Computational Chemistry

Giovanni Li Manni,Ignacio Fdez. Galván,et al.

2023307 citations

CASSCF with Extremely Large Active Spaces Using the Adaptive Sampling Configuration Interaction Method

Daniel S. Levine,Diptarka Hait,et al.

2020159 citations

Microscopic structure of water at elevated pressures and temperatures

Christoph J. Sahle,Christian Sternemann,et al.

2013154 citations

Pipek–Mezey Orbital Localization Using Various Partial Charge Estimates

Susi Lehtola,Hannes Jónsson

2014111 citations

Benchmarking Magnetizabilities with Recent Density Functionals

Susi Lehtola,Maria Dimitrova,et al.

202198 citations