Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Andreas Grüneis

5PUBLICATIONS

6CO-AUTHORS

Colloid and surface chemistryRadiation and matterChemical thermodynamics and energeticsCondensed matter modelling and density functional theoryTheoretical quantum chemistry

Featured researcher

Get your video featured.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (5)

Sort by Publication Date:

|Jan 01, 2022

Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride.

Tobias Schäfer, Alejandro Gallo, Andreas Irmler

|Jul 09, 2021

Focal-point approach with pair-specific cusp correction for coupled-cluster theory.

Andreas Irmler, Alejandro Gallo, Andreas Grüneis

|Feb 16, 2021

A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides.

Alejandro Gallo, Felix Hummel, Andreas Irmler

|Jan 08, 2021

Local embedding of coupled cluster theory into the random phase approximation using plane waves.

Tobias Schäfer, Florian Libisch, Georg Kresse

|Sep 16, 2019

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory.

Andreas Irmler, Andreas Grüneis

Pageof 1

Frequent Collaborators

3 joint publications

Andreas Irmler

3 joint publications

Alejandro Gallo

2 joint publications

Tobias Schäfer

2 joint publications

Felix Hummel

1 joint publications

Florian Libisch

1 joint publications

Georg Kresse

Frequent Collaborators

3 joint publications

Andreas Irmler

3 joint publications

Alejandro Gallo

2 joint publications

Tobias Schäfer

2 joint publications

Felix Hummel

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

See more related videos