Andrej Antalík

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EPFL (École Polytechnique Fédérale de Lausanne)

Switzerland

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DMRG-based quantum chemical methods for study of electronic structure properties of polynuclear transition metal complexes

Open Date: 2017-01-01

Close Date: 2019-12-01

Articles (9)

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2025

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2025

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2025

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2024

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2021

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2020

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2020

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2020

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2020

Collaborators (2)

Christian Wäckerlin

Paul Scherrer Institut

SWITZERLAND

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Andrea Levy

EPFL (École Polytechnique Fédérale de Lausanne)

SWITZERLAND

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Andrej Antalík

Research Interests

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Contact this professor

Recent Grants

Articles (9)

OpenMM–MiMiC Interface for Efficient and Flexible Multiscale Simulations

Making Puzzle Pieces Fit or Reshaping MiMiC for Multiscale Simulations with CP2K and More

Multiscale Molecular Dynamics Simulations with the MiMiC Framework

MiMiC: A high-performance framework for multiscale molecular dynamics simulations

Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems

On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons

Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)

Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study

Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study

Collaborators (2)

Christian Wäckerlin

Andrea Levy

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