ORCA 6: Introduction and Overview

This workshop was run for the Virtual Winter School on Computational Chemistry The format was a series of introductory lectures, followed by hands-on workshop sessions. Information for new users of ORCA To ensure a smooth and productive practical hands-on session, we kindly ask participants to complete the following preparations beforehand: Install ORCAStudents should install ORCA in advance for the hands-on part of the workshop.- Installation Instructions: ORCA Installation Guide(Participants can register for free on the ORCA forum to download the software.)- ORCA Download: ORCA Download Page Install Avogadro as a GUIWe recommend installing Avogadro as a graphical user interface for ORCA.- Installation Instructions: Avogadro Installation Guide Install ChimeraX as a GUIWe also recommend installing ChimeraX as a graphical user interface for ORCA.- Installation Instructions: ChimeraX Installation Guide- Please also install the SEQCROW plugin! It can be installed via the Tools/More Tools menu within ChimeraX.

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2025-03-03
DOI
https://doi.org/10.5281/zenodo.14959161
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

ORCA 6: Introduction and Overview

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
article

ORCA 6: Introduction and Overview

article en

Abstract

This workshop was run for the Virtual Winter School on Computational Chemistry The format was a series of introductory lectures, followed by hands-on workshop sessions. Information for new users of ORCA To ensure a smooth and productive practical hands-on session, we kindly ask participants to complete the following preparations beforehand: Install ORCAStudents should install ORCA in advance for the hands-on part of the workshop.- Installation Instructions: ORCA Installation Guide(Participants can register for free on the ORCA forum to download the software.)- ORCA Download: ORCA Download Page Install Avogadro as a GUIWe recommend installing Avogadro as a graphical user interface for ORCA.- Installation Instructions: Avogadro Installation Guide Install ChimeraX as a GUIWe also recommend installing ChimeraX as a graphical user interface for ORCA.- Installation Instructions: ChimeraX Installation Guide- Please also install the SEQCROW plugin! It can be installed via the Tools/More Tools menu within ChimeraX.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 62%
Machine Learning in Materials Science
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ORCA 6: Introduction and Overview · Zenodo (CERN European Organization for Nuclear Research) (2025) | TGRS Research Map | TGRS