Jan P Unsleber

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 6

Top Topics

Electron Transfer

High Throughput

Density Functional Theory

Gold Nanoparticles

Top Venues

Journal of chemical theory and computation

Accounts of chemical research

Digital discovery

The Journal of chemical physics

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

Publications

Jan P Unsleber, Hongbin Liu, Leopold Talirz, Thomas Weymuth, Maximilian Mörchen, Adam Grofe, Dave Wecker, Christopher J Stein, Ajay Panyala, Bo Peng, Karol Kowalski, Matthias Troyer, Markus Reiher
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. The Journal of chemical physics 158 (8) (2023)
Jan P Unsleber
Accelerating Reaction Network Explorations with Automated Reaction Template Extraction and Application. Journal of chemical information and modeling (2023)
Alessandra Toniato, Jan P Unsleber, Alain Claude Vaucher, Thomas Weymuth, Daniel Probst, Teodoro Laino, Markus Reiher
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning. Digital discovery 2 (3) (2023)
Moritz Bensberg, Paul L Türtscher, Jan P Unsleber, Markus Reiher, Johannes Neugebauer
Solvation Free Energies in Subsystem Density Functional Theory. Journal of chemical theory and computation 18 (2) (2022)
Jan P Unsleber, Stephanie A Grimmel, Markus Reiher
Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks. Journal of chemical theory and computation 18 (9) (2022)
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, Paul L Türtscher, Jan P Unsleber, Thomas Weymuth, Markus Reiher
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths. Accounts of chemical research 55 (1) (2021)