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Markus Reiher

Professor for Theoretical Chemistry

ETH Zürich

Switzerland

Research Interests

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Articles (20)

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2024

Collaborators (8)

Cristina Puzzarini

Professore Ordinario

University of Bologna

ITALY

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Nina Glaser

Københavns Universitet

DENMARK

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Mattia Melosso

Junior Assistant Professor

University of Bologna

ITALY

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Kantharuban Sivalingam

Max-Planck-Institut für Kohlenforschung

GERMANY

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Michal Lesiuk

University of Warsaw

POLAND

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Christian Franck

Prof. at ETH Zürich

ETH Zürich

SWITZERLAND

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Thomas Weymuth

Senior Scientist

ETH Zürich

SWITZERLAND

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Stefano Battaglia

Senior Researcher

Microsoft Research

NETHERLANDS

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Markus Reiher

Research Interests

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Articles (20)

Automated Exploration of Radical-molecule Chemistry: The Case of Oxirane + CH in the Interstellar Medium

Chemical reaction network and kinetic analysis for natural origin gases, C4F7N, and their mixtures

VizChemoton: Visualization of Quantum Chemical Reaction Networks and Their Cheminformatics Features

Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory

Ground- and excited-state energies with analytic errors and short time evolution on a quantum computer

Utility-Scale Quantum Computational Chemistry

After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective

Trotter error and orbital transformations in quantum phase estimation

Neural Quantum States Based on Selected Configurations

Modal Backflow Neural Quantum States for Anharmonic Vibrational Calculations

n-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics

QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group

Non-iterative Triples for Transcorrelated Coupled Cluster Theory

Automated Reaction Exploration of Ozonation Processes for Model Olefins in Water

Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations

Automated Microsolvation for Minimum Energy Path Construction in Solution

Multiscale Embedding for Quantum Computing

High Ground State Overlap via Quantum Embedding Methods

Complete Active Space Iterative Coupled Cluster Theory

Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks

Collaborators (8)

Cristina Puzzarini

Nina Glaser

Mattia Melosso

Kantharuban Sivalingam

Michal Lesiuk

Christian Franck

Thomas Weymuth

Stefano Battaglia

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