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Johannes C. B Dietschreit

Group Leader

Universität Wien

Austria

Research Interests

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Professors in Austria Professors in Condensed Matter Physics Condensed Matter Physics professors in Austria

Articles (17)

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2026

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2026

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2026

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2026

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2026

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2026

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2025

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2025

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2025

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2025

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2025

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2024

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2024

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2024

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2023

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2023

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2023

Collaborators (9)

Philipp Marquetand

Universität Wien

AUSTRIA

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Zhenghao Wu

Xi’an Jiaotong-Liverpool University

CHINA

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Ville Kaila

Professor

Technical University of Munich

GERMANY

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Julia Westermayr

Assistant Professor

Leipzig University

GERMANY

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Leticia Gonzalez

Universität Wien

AUSTRIA

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Rafael Gomez-Bombarelli

Assistant Professor

Massachusetts Institute of Technology

UNITED STATES

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Gen-ichi KONISHI

Associate Professor

Tokyo Institute of Technology

JAPAN

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Christian Ochsenfeld

Professor

Ludwig-Maximilians-Universität München

GERMANY

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Davide Bonifazi

Universität Wien

AUSTRIA

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Johannes C. B Dietschreit

Research Interests

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Articles (17)

Incorporating long-range interactions via the multipole expansion into ground and excited-state molecular simulations

Design Rules for Tuning Thermal Lifetimes of Arylazopyrazole Photoswitches

The entropic barrier around the conical intersection seam

Umbrella Sampling for Excited States Using a Semiempirical Method

NATPS: Nonadiabatic Transition Path Sampling Using the Time-Reversible Mapping Approach to Surface Hopping

Benzoyl‐Xanthenoxanthenes: Versatile Chromophores for Light‐Engaging Applications

Trendbericht Theoretische Chemie 2025 1/2: Maschinelles Lernen für angeregte Zustände

Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters

Enhanced sampling of robust molecular datasets with uncertainty-based collective variables

Excited-state nonadiabatic dynamics in explicit solvent using machine learned interatomic potentials

Revisiting the intricate photodissociation mechanism of ammonia along the minor NH + H2 pathway

QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling

Systematic QM/MM Study for Predicting 31P NMR Chemical Shifts of Adenosine Nucleotides in Solution and Stages of ATP Hydrolysis in a Protein Environment

Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation

Learning pair potentials using differentiable simulations

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

Entropy and Energy Profiles of Chemical Reactions

Collaborators (9)

Philipp Marquetand

Zhenghao Wu

Ville Kaila

Julia Westermayr

Leticia Gonzalez

Rafael Gomez-Bombarelli

Gen-ichi KONISHI

Christian Ochsenfeld

Davide Bonifazi

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