Kjell Jorner

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 22

Top Venues

The journal of physical chemistry. A

Scientific data

Chemistry (Weinheim an der Bergstrasse, Germany)

Chemical science

AstraZeneca

Uppsala University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

AstraZeneca Sep 10 2018

United Kingdom

Postdoctoral Fellow

Education History

Uppsala University

Sweden

PHD :: Department of Chemistry - Ångström Laboratory

Publications

Stefan P Schmid, Leon Schlosser, Frank Glorius, Kjell Jorner
Catalysing (organo-)catalysis: Trends in the application of machine learning to enantioselective organocatalysis. Beilstein journal of organic chemistry 20 (2024)
Danillo Valverde, Cher Tian Ser, Gaetano Ricci, Kjell Jorner, Robert Pollice, Alán Aspuru-Guzik, Yoann Olivier
Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules. ACS applied materials & interfaces (2024)
Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method. The journal of physical chemistry. A 128 (12) (2024)
Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method. The journal of physical chemistry. A 128 (12) (2024)
Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method. The journal of physical chemistry. A 128 (12) (2024)
Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik
Ultrafast Computational Screening of Molecules with Inverted Singlet-Triplet Energy Gaps Using the Pariser-Parr-Pople Semiempirical Quantum Chemistry Method. The journal of physical chemistry. A (2024)
Thijs Stuyver, Kjell Jorner, Connor W Coley
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions. Scientific data 10 (1) (2023)
Kjell Jorner
Putting Chemical Knowledge to Work in Machine Learning for Reactivity. Chimia 77 (1-2) (2023)
Thijs Stuyver, Kjell Jorner, Connor W Coley
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions. Scientific data 10 (1) (2023)
Thijs Stuyver, Kjell Jorner, Connor W Coley
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions. Scientific data 10 (1) (2023)
Thijs Stuyver, Kjell Jorner, Connor W Coley
Reaction profiles for quantum chemistry-computed [3 + 2] cycloaddition reactions. Scientific data 10 (1) (2023)
Rodrigo A Vargas-Hernández, Kjell Jorner, Robert Pollice, Alán Aspuru-Guzik
Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation. The Journal of chemical physics 158 (10) (2023)
Ouissam El Bakouri, Dariusz W Szczepanik, Kjell Jorner, Rabia Ayub, Patrick Bultinck, Miquel Solá, Henrik Ottosson
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? Journal of the American Chemical Society 144 (19) (2022)
Kjell Jorner, Anna Tomberg, Christoph Alexander Bauer, Christian Sköld, Per-Ola Norrby
Organic reactivity from mechanism to machine learning. Nature reviews. Chemistry 5 (4) (2021)
Kjell Jorner, Anna Tomberg, Christoph Alexander Bauer, Christian Sköld, Per-Ola Norrby
Organic reactivity from mechanism to machine learning. Nature reviews. Chemistry 5 (4) (2021)
Rabia Ayub, Ouissam El Bakouri, Joshua R Smith, Kjell Jorner, Henrik Ottosson
Triplet State Baird Aromaticity in Macrocycles: Scope, Limitations, and Complications. The journal of physical chemistry. A 125 (2) (2021)
Kjell Jorner, Tore Brinck, Per-Ola Norrby, David Buttar
Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies. Chemical science 12 (3) (2020)
Kjell Jorner, Burkhard O Jahn, Patrick Bultinck, Henrik Ottosson
Triplet state homoaromaticity: concept, computational validation and experimental relevance. Chemical science 9 (12) (2018)
Rabia Ayub, Raffaello Papadakis, Kjell Jorner, Burkhard Zietz, Henrik Ottosson
Cyclopropyl Group: An Excited-State Aromaticity Indicator? Chemistry (Weinheim an der Bergstrasse, Germany) 23 (55) (2017)
Michihisa Ueda, Kjell Jorner, Young Mo Sung, Tadashi Mori, Qi Xiao, Dongho Kim, Henrik Ottosson, Takuzo Aida, Yoshimitsu Itoh
Energetics of Baird aromaticity supported by inversion of photoexcited chiral [4n]annulene derivatives. Nature communications 8 (1) (2017)
Raffaello Papadakis, Hu Li, Joakim Bergman, Anna Lundstedt, Kjell Jorner, Rabia Ayub, Soumyajyoti Haldar, Burkhard O Jahn, Aleksandra Denisova, Burkhard Zietz, Roland Lindh, Biplab Sanyal, Helena Grennberg, Klaus Leifer, Henrik Ottosson
Metal-free photochemical silylations and transfer hydrogenations of benzenoid hydrocarbons and graphene. Nature communications 7 (2016)
Kjell Jorner, Ferran Feixas, Rabia Ayub, Roland Lindh, Miquel Solá, Henrik Ottosson
Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10]Annulenyl Dicationic Rings. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (8) (2016)

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Publication Activity (10 Years)

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Kjell Jorner