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K

Kjell Jorner

eth zurich

23H-index
109Paper Count
2.5KCitation Count
Published Papers 39
Publication Date
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Cost-Effective Quantum-Mechanical Workflows for Molecular Machine Learning
errACS Catalysis
IF13.1
err2026-05-26
err0
errOAAI
errDavid Dalmau; Lauriane Jacot-Descombes; Adarsh Kalikadien; Brenda Manzanilla; Evgeny A. Pidko; Kjell Jorner; Matthew S. Sigman; Juan V. Alegre-Requena
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Hazard Assessment of Antioxidants as Contaminants of Concern
errEnvironmental Science & Technology Letters
IF8.8
err2026-03-02
err0
errOAAI
errCarolin Seller-Brison; Franziska Weissbach; Kjell Jorner; Martin Scheringer; Kathrin Fenner
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Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence
errJournal of the American Chemical Society
IF15.6
err2026-02-20
err0
PREAI
errKonstantinos D. Vogiatzis; Clémence Corminboeuf; Ainara Nova; Kjell Jorner; Johannes Kästner; Markus Meuwly; Philippe Schwaller; Victor Böttcher; Maria Drosou; Edvin Fako; Hannes Hoppe; Zarko Ivkovic; Nestor Iwanojko; Dimitrios A. Pantazis; Stefan P. Schmid; Kalman Szenes; Auguste Tetenoire; Markus Reiher
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Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-12
err0
errOAAI
errStefan P. Schmid; Henrik Seng; Thibault Kläy; Kjell Jorner
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Inverse Molecular Design for the Discovery of Organic Energy Transfer Photocatalysts: Bridging Global and Local Chemical Space Exploration
errJournal of the American Chemical Society
IF15.6
err2026-02-06
err0
errOAAI
errLeon Schlosser; Nils H. Rendel; Julius Gemen; Frank Glorius; Kjell Jorner
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Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation
errJournal of the American Chemical Society
IF15.6
err2025-11-17
err0
PREAI
errCher Tian Ser; Han Hao; Sergio Pablo-García; Kjell Jorner; Shangyu Li; Robert Pollice; Alán Aspuru-Guzik
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Stereochemistry-aware string-based molecular generation
errPNAS NEXUS
IF3.8
err2025-11-01
err0
errOAAI
errTom, Gary; Yu, Edwin; Yoshikawa, Naruki; Jorner, Kjell; Aspuru-Guzik, Alan
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Educating Future Chemists in the Age of AI: A Digital Chemistry Course
errCHIMIA
IF1.6
err2025-10-01
err0
errOAAI
errJacot-Descombes, Lauriane; Schmid, Stefan P.; Jorner, Kjell
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A borindolizine platform for the design of fluorophores with tun-able emissions
errChem. Sci.
IF7.4
err2025-09-17
err0
errOAAI
errChirag N. Apte; Nicholas W. Heller; Ben Zhen Huang; Adam Marr; Kjell Jorner; Alan Aspuru-Guzik; Andrei K Yudin
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Predicting Reaction Feasibility and Selectivity of Aromatic C─H Thianthrenation with a QM–ML Hybrid Approach
errAngewandte Chemie International Edition
IF0
err2025-09-14
err0
PREAI
errLukas M. Sigmund; Tina Seifert; Riya Halder; Giulia Bergonzini; Magnus J. Johansson; Per-Ola Norrby; Kjell Jorner; Mikhail Kabeshov
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SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic Data
errACS CATALYSIS
IF13.1
err2025-04-18
err1
errOAAI
errSuvarna, M; Laplaza, R; Graux, R; López, N; Corminboeuf, C; Jorner, K; Perez-Ramírez, J
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Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-11-11
err0
errOAAI
errSchaufelberger, Luca; Blaskovits, J. Terence; Laplaza, Ruben; Jorner, Kjell; Corminboeuf, Clemence
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Computational Investigations of the Detailed Mechanism of Reverse Intersystem Crossing in Inverted Singlet-Triplet Gap Molecules
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-05-10
err6
PREAI
errValverde, Danillo; Ser, Cher Tian; Ricci, Gaetano; Jorner, Kjell; Pollice, Robert; Aspuru-Guzik, Alan; Olivier, Yoann
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Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-05-01
err30
errOAAI
errPablo-Garcia, Sergio; Morandi, Santiago; Vargas-Hernandez, Rodrigo A.; Jorner, Kjell; Ivkovic, Zarko; Lopez, Nuria; Aspuru-Guzik, Alan
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Inverse molecular design and parameter optimization with Huckel theory using automatic differentiation
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-08
err12
errOAAI
errVargas-Hernandez, Rodrigo A.; Jorner, Kjell; Pollice, Robert; Aspuru-Guzik, Alan
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Reinforcement learning supercharges redox flow batteries
errNATURE MACHINE INTELLIGENCE
IF23.9
err2022-08-12
err4
PREAI
errCao, Yang; Ser, Cher Tian; Skreta, Marta; Jorner, Kjell; Kusanda, Nathanael; Aspuru-Guzik, Alan
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Three-Dimensional Fully Π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-05-06
err34
errOAAI
errEl Bakouri, Ouissam; Szczepanik, Dariusz W.; Jorner, Kjell; Ayub, Rabia; Bultinck, Patrick; Sola, Miquel; Ottosson, Henrik
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A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-01-12
err146
PREAI
errGensch, Tobias; Gomes, Gabriel dos Passos; Friederich, Pascal; Peters, Ellyn; Gaudin, Theophile; Pollice, Robert; Jorner, Kjell; Nigam, AkshatKumar; Lindner-D'Addario, Michael; Sigman, Matthew S.; Aspuru-Guzik, Alan
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Organic reactivity from mechanism to machine learning (Mar, 10.1038/s41570-021-00260-x, 2021)
errNATURE REVIEWS CHEMISTRY
IF51.7
err2021-03-22
err1
PREAI
errJorner, Kjell; Tomberg, Anna; Bauer, Christoph; Skold, Christian; Norrby, Per-Ola
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Organic reactivity from mechanism to machine learning
errNATURE REVIEWS CHEMISTRY
IF51.7
err2021-03-16
err106
PREAI
errJorner, Kjell; Tomberg, Anna; Bauer, Christoph; Skold, Christian; Norrby, Per-Ola
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Research Directions

No research directions
Co-authors
Cooperation Journals
F
Frank Glorius
H-index: 155 · Papers: 1.3K
J
Javier Pérez‐Ramírez
H-index: 129 · Papers: 845
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
D
Dongho Kim
H-index: 112 · Papers: 1.9K
T
Takuzo Aida
H-index: 112 · Papers: 711
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