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Employment (2)

ETH Zurich: Zurich, CH

2021-01-01 to present | Senior Scientist (Department of Chemistry and Applied Biosciences)
Employment
Source: Self-asserted source
Thomas Weymuth

ETH Zurich: Zurich, CH

2017-08-01 to 2020-12-31 | Research Associate (Department of Chemistry and Applied Biosciences)
Employment
Source: Self-asserted source
Thomas Weymuth

Works (24)

Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

The Journal of Physical Chemistry A
2024 | Journal article
DOI: 10.1021/acs.jpca.4c03936
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

SCINE—Software for chemical interaction networks

The Journal of Chemical Physics
2024 | Journal article
DOI: 10.1063/5.0206974
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation

The Journal of Chemical Physics
2023 | Journal article
DOI: 10.1063/5.0136526
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning

Digital Discovery
2023 | Journal article
DOI: 10.1039/D3DD00006K
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Ultra-Fast Semi-Empirical Quantum Chemistry for High-Throughput Computational Campaigns with Sparrow

The Journal of Chemical Physics
2023 | Journal article
DOI: 10.1063/5.0136404
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Expansive Quantum Mechanical Exploration of Chemical Reaction Paths

Accounts of Chemical Research
2022 | Journal article
DOI: 10.1021/acs.accounts.1c00472
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Heuristics and Uncertainty Quantification in Rational and Inverse Compound and Catalyst Design

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering
2022 | Book chapter
DOI: 10.1016/b978-0-12-821978-2.00007-6
Source: Self-asserted source
Thomas Weymuth

The transferability limits of static benchmarks

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP01725C
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Ultra‐fast spectroscopy for high‐throughput and interactive quantum chemistry

International Journal of Quantum Chemistry
2022 | Journal article
DOI: 10.1002/qua.26966
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Immersive Interactive Quantum Mechanics for Teaching and Learning Chemistry

Chimia
2021 | Journal article
DOI: 10.2533/chimia.2021.45
Source: Self-asserted source
Thomas Weymuth

Resonance Effects in the Raman Optical Activity Spectrum of [Rh(en)3]3+

The Journal of Physical Chemistry A
2019 | Journal article
DOI: 10.1021/acs.jpca.9b06968
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Redox-Active Chiroptical Switching in Mono- and Bis-Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity

Chemistry - A European Journal
2018 | Journal article
DOI: 10.1002/chem.201803069
Source: Self-asserted source
Thomas Weymuth
grade
Preferred source (of 2)‎

Statistical Analysis of Semiclassical Dispersion Corrections

Journal of Chemical Theory and Computation
2018 | Journal article
DOI: 10.1021/acs.jctc.8b00078
Source: Self-asserted source
Thomas Weymuth

Systematic Dependence of Transition-Metal Coordination Energies on Density-Functional Parametrizations

International Journal of Quantum Chemistry
2015 | Journal article
DOI: 10.1002/qua.24800
Source: Self-asserted source
Thomas Weymuth

Gradient-Driven Molecule Construction: An Inverse Approach Applied to the Design of Small-Molecule Fixating Catalysts

International Journal of Quantum Chemistry
2014 | Journal article
DOI: 10.1002/qua.24686
Source: Self-asserted source
Thomas Weymuth

Inverse Quantum Chemistry: Concepts and Strategies for Rational Compound Design

International Journal of Quantum Chemistry
2014 | Journal article
DOI: 10.1002/qua.24687
Source: Self-asserted source
Thomas Weymuth

New Benchmark Set of Transition-Metal Coordination Reactions for the Assessment of Density Functionals

Journal of Chemical Theory and Computation
2014 | Journal article
DOI: 10.1021/ct500248h
Source: Self-asserted source
Thomas Weymuth

Characteristic Raman Optical Activity Signatures of Protein β-Sheets

Journal of Physical Chemistry B
2013 | Journal article
DOI: 10.1021/jp405981h
Source: Self-asserted source
Thomas Weymuth

Toward an Inverse Approach for the Design of Small-Molecule Fixating Catalysts

Materials Research Society Symposium Proceedings
2013 | Conference paper
DOI: 10.1557/opl.2012.1764
Source: Self-asserted source
Thomas Weymuth

How Many Chiral Centers Can Raman Optical Activity Spectroscopy Distinguish in a Molecule?

Journal of Physical Chemistry A
2012 | Journal article
DOI: 10.1021/jp303428f
Source: Self-asserted source
Thomas Weymuth

MOVIPAC: Vibrational Spectroscopy with a Robust Meta-Program for Massively Parallel Standard and Inverse Calculations

Journal of Computational Chemistry
2012 | Journal article
DOI: 10.1002/jcc.23036
Source: Self-asserted source
Thomas Weymuth

Density Functional Theory for Transition Metal Chemistry: The Case of a Water-Splitting Ruthenium Cluster

Modeling of Molecular Properties
2011 | Book
DOI: 10.1002/9783527636402.ch10
Source: Self-asserted source
Thomas Weymuth

Identifying Protein β-Turns with Vibrational Raman Optical Activity

ChemPhysChem
2011 | Journal article
DOI: 10.1002/cphc.201001061
Source: Self-asserted source
Thomas Weymuth

A Local-Mode Model for Understanding the Dependence of the Extended Amide III Vibrations on Protein Secondary Structure

Journal of Physical Chemistry B
2010 | Journal article
DOI: 10.1021/jp104542w
Source: Self-asserted source
Thomas Weymuth

Peer review (1 review for 1 publication/grant)

Review activity for Journal of chemical theory and computation : (1)
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