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J

Jonny Proppe

technische universität braunschweig

17H-index
66Paper Count
1.6KCitation Count
Published Papers 22
Publication Date
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Uncertainty Quantification for In Silico Chemistry
errChemical Reviews
IF55.8
err2026-03-04
err0
errOAAI
errTom Frömbgen; Elizaveta Surzhikova; Jürgen Dölz; Jonny Proppe; Barbara Kirchner; Christoph R. Jacob
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When machine learning models learn chemistry I: quantifying explainability with matched molecular pairs
errDigital Discovery
IF5.6
err2026-02-10
err0
errOAAI
errKerrin Janssen; Jan M. Wollschläger; Jonny Proppe; Andreas H. Göller
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errSave
When machine learning models learn chemistry II: applying WISP to real-world examples
errDigital Discovery
IF5.6
err2026-02-10
err0
errOAAI
errKerrin Janssen; Jan M. Wollschläger; Jonny Proppe; Andreas H. Göller
errShare
errSave
Predicting the Stability of Base-mediated C─H Carboxylation Adducts Using Data Science Tools
errAngewandte Chemie International Edition
IF16.9
err2025-11-19
err0
errOAAI
errDr. Maike Eckhoff; Dr. Shubham Deolka; Dr. Aleria Garcia-Roca; Lilly Meynberg; Liudmila Seidel; Prof. Dr. Matthew S. Sigman; Prof. Dr. Jonny Proppe
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Revisiting Mayr's reactivity database: expansion; sensitivity analysis; and uncertainty quantification
errOrg. Biomol. Chem.
IF2.7
err2025-08-17
err0
errOAAI
errMoritz K.-E. Wolff; Armin R. Ofial; Jonny Proppe
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errSave
Predicting and Explaining Yields with Machine Learning for Carboxylated Azoles and Beyond
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-02-07
err0
errOAAI
errJanssen, Kerrin; Proppe, Jonny
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errSave
Unveiling CO2 reactivity with data-driven methods
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errEckhoff, Maike; Bublitz, Kerstin L.; Proppe, Jonny
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Relevance and Potential Applications of C2-Carboxylated 1,3-Azoles
errCHEMMEDCHEM
IF3.4
err2024-09-13
err1
errOAAI
errJanssen, Kerrin; Kirchmair, Johannes; Proppe, Jonny
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Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-01-09
err3
errOAAI
errTinzl, Matthias; Diedrich, Johannes V.; Mittl, Peer R. E.; Clemancey, Martin; Reiher, Markus; Proppe, Jonny; Latour, Jean-Marc; Hilvert, Donald
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errSave
Learning Conductance: Gaussian Process Regression for Molecular Electronics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-24
err8
PREAI
errDeffner, Michael; Weise, Marc Philipp; Zhang, Haitao; Mucke, Maike; Proppe, Jonny; Franco, Ignacio; Herrmann, Carmen
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errSave
Electrosynthetic Screening and Modern Optimization Strategies for Electrosynthesis of Highly Value-added Products
errCHEMELECTROCHEM
IF3.5
err2021-06-16
err2
errOAAI
errDorr, Maurice; Proppe, Jonny; Hielscher, Maximilian M.; Waldvogel, Siegfried R.
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errSave
Machine-learned potentials for next-generation matter simulations
errNATURE MATERIALS
IF38.5
err2021-05-27
err299
PREAI
errFriederich, Pascal; Hase, Florian; Proppe, Jonny; Aspuru-Guzik, Alan
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errSave
Electrosynthetic Screening and Modern Optimization Strategies for Electrosynthesis of Highly Value-added Products
errCHEMELECTROCHEM
IF3.5
err2021-05-14
err49
PREAI
errDoerr, Maurice; Hielscher, Maximilian M.; Proppe, Jonny; Waldvogel, Siegfried R.
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errSave
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-03-15
err5
errOAAI
errUranga, Jon; Hasecke, Lukas; Proppe, Jonny; Fingerhut, Jan; Mata, Ricardo A.
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errSave
Gaussian Process-Based Refinement of Dispersion Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-10-11
err41
errOAAI
errProppe, Jonny; Gugler, Stefan; Reiher, Markus
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errSave
Mechanism Deduction from Noisy Chemical Reaction Networks
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-12-03
err39
errOAAI
errProppe, Jonny; Reiher, Markus
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errSave
Statistical Analysis of Semiclassical Dispersion Corrections
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-04-03
err21
errOAAI
errWeymuth, Thomas; Proppe, Jonny; Reiher, Markus
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errSave
Reliable Estimation of Prediction Uncertainty for Physicochemical Property Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-22
err44
errOAAI
errProppe, Jonny; Reiher, Markus
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errSave
New methods: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2016-01-01
err2
PREAI
errAngulo, Gonzalo; Astumian, Raymond Dean; Beniwal, Vijay; Bolhuis, Peter G.; Dellago, Christoph; Ellis, John; Ensing, Bernd; Glowacki, David R.; Hammes-Schiffer, Sharon; Kaestner, Johannes K.; Lelievre, Tony; Makri, Nancy; Manolopoulos, David; Menzl, Georg; Miller, Thomas F.; Mulholland, Adrian; Oprzeska-Zingrebe, Ewa Anna; Parrinello, Michele; Pollak, Eli; Proppe, Jonny; Reiher, Markus; Richardson, Jeremy; Chowdhury, Priyadarshi Roy; Sanz, Eduardo; Schuette, Christof; Shalashilin, Dmitry; Szabla, Rafal; Taraphder, Srabani; Tiwari, Ambuj; Vanden-Eijnden, Eric; Vijaykumar, Adithya; Zinovjev, Kirill
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errSave
Uncertainty quantification for quantum chemical models of complex reaction networks
errFARADAY DISCUSSIONS
IF3.1
err2016-01-01
err65
errOAAI
errProppe, Jonny; Husch, Tamara; Simm, Gregor N.; Reiher, Markus
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Research Directions

No research directions
Co-authors
Cooperation Journals
M
Michele Parrinello
H-index: 155 · Papers: 924
A
Alán Aspuru‐Guzik
H-index: 114 · Papers: 933
J
John Ellis
H-index: 100 · Papers: 960
M
Matthew S. Sigman
H-index: 99 · Papers: 576
S
Sharon Hammes‐Schiffer
H-index: 83 · Papers: 679
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