Kjell Jorner

According to our database, Kjell Jorner authored at least 10 papers between 2022 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

Constrained Flow Optimization via Sequential Fine Tuning for Molecular Design.

Sven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner, Andreas Krause

CoRR, May, 2026

GEMS - Guided Evolutionary Molecule Design for Sustainable Chemicals.

Coelina Robinson, Franziska Weissbach, Kjell Jorner, Mennatallah El-Assady, Christina Humer

CoRR, May, 2026

Bayesian Scattering: A Principled Baseline for Uncertainty on Image Data.

Bernardo Fichera, Zarko Ivkovic, Kjell Jorner, Philipp Hennig, Viacheslav Borovitskiy

CoRR, March, 2026

Generating Cyclic Conformers with Flow Matching in Cremer-Pople Coordinates.

Luca Schaufelberger, Aline Hartgers, Kjell Jorner

CoRR, January, 2026

Rapid Generation of Transition-State Conformer Ensembles via Constrained Distance Geometry.

Stefan P. Schmid, Henrik Seng, Thibault Kläy, Kjell Jorner

J. Chem. Inf. Model., 2026

2025

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions.

Stefan P. Schmid, Ella M. Rajaonson, Cher Tian Ser, Mohammad Haddadnia, Shi Xuan Leong, Alán Aspuru-Guzik, Agustinus Kristiadi, Kjell Jorner, Felix Strieth-Kalthoff

CoRR, February, 2025

2023

Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks.

Sergio Pablo-García, Santiago Morandi, Rodrigo A. Vargas-Hernández, Kjell Jorner, Zarko Ivkovic, Núria López, Alán Aspuru-Guzik

Nat. Comput. Sci., 2023

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

Reinforcement learning supercharges redox flow batteries.

Yang Cao, Cher Tian Ser, Marta Skreta, Kjell Jorner, Nathanael Kusanda, Alán Aspuru-Guzik

Nat. Mach. Intell., 2022

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

CoRR, 2022