Alexander Grüneis

Affiliations

II. Physikalisches Institut , Universität zu Köln , Zülpicher Strasse 77 , 50937 Cologne , Germany.

ORCID: http://orcid.org/0000-0003-2448-6060

Publications (25)

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods.

The journal of physical chemistry letters

Avec: Jan Gerit Brandenburg , Andrea Zen , Martin Fitzner , Benjamin Ramberger , Georg Kresse , Theodoros Tsatsoulis , Andreas Grüneis , Angelos Michaelides , Dario Alfè

Origin of the Flat Band in Heavily Cs-Doped Graphene.

ACS nano

Avec: Niels Ehlen , Martin Hell , Giovanni Marini , Eddwi Hesky Hasdeo , Riichiro Saito , Yannic Falke , Mark Oliver Goerbig , Giovanni Di Santo , Luca Petaccia , Gianni Profeta , Alexander Grüneis

Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories.

Physical review letters

Avec: Andreas Irmler , Alejandro Gallo , Felix Hummel , Andreas Grüneis

Massive and massless charge carriers in an epitaxially strained alkali metal quantum well on graphene.

Nature communications

Avec: Martin Hell , Niels Ehlen , Giovanni Marini , Yannic Falke , Boris V Senkovskiy , Charlotte Herbig , Christian Teichert , Wouter Jolie , Thomas Michely , Jose Avila , Giovanni Di Santo , Diego M de la Torre , Luca Petaccia , Gianni Profeta , Alexander Grüneis

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

The Journal of chemical physics

Avec: Tobias Schäfer , Alejandro Gallo , Andreas Irmler , Felix Hummel , Andreas Grüneis

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

The Journal of chemical physics

Avec: Tobias Schäfer , Florian Libisch , Georg Kresse , Andreas Grüneis

A shortcut to the thermodynamic limit for quantum many-body calculations of metals.

Nature computational science

Avec: Tina N Mihm , Tobias Schäfer , Sai Kumar Ramadugu , Laura Weiler , Andreas Grüneis , James J Shepherd

Host-Guest Chemistry in Boron Nitride Nanotubes: Interactions with Polyoxometalates and Mechanism of Encapsulation.

Journal of the American Chemical Society

Avec: Jack W Jordan , Alexander I Chernov , Graham A Rance , E Stephen Davies , Anabel E Lanterna , Jesum Alves Fernandes , Alexander Grüneis , Quentin Ramasse , Graham N Newton , Andrei N Khlobystov

Mass Inversion at the Lifshitz Transition in Monolayer Graphene by Diffusive, High-Density, On-Chip Doping.

ACS nano

Avec: Ayse Melis Aygar , Oliver Durnan , Bahar Molavi , Sam N R Bovey , Alexander Grüneis , Thomas Szkopek

CO adsorption on Pt(111) studied by periodic coupled cluster theory.

Faraday discussions

Avec: Johanna P Carbone , Andreas Irmler , Alejandro Gallo , Tobias Schäfer , William Z Van Benschoten , James J Shepherd , Andreas Grüneis

Photothermal Bottom-up Graphene Nanoribbon Growth Kinetics.

Nano letters

Avec: Yannic Falke , Boris V Senkovskiy , Niels Ehlen , Lena Wysocki , Tomas Marangoni , Rebecca A Durr , Alexander I Chernov , Felix R Fischer , Alexander Grüneis

Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.

Journal of the American Chemical Society

Avec: Benjamin X Shi , Andrea Zen , Venkat Kapil , Péter R Nagy , Andreas Grüneis , Angelos Michaelides

Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets.

Physical chemistry chemical physics : PCCP

Avec: Maristella Alessio , Garrette Pauley Paran , Cansu Utku , Andreas Grüneis , Thomas-C Jagau

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas.

Journal of chemical theory and computation

Avec: Nikolaos Masios , Felix Hummel , Andreas Grüneis , Andreas Irmler

Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids.

The Journal of chemical physics

Avec: Amir Taheridehkordi , Martin Schlipf , Zoran Sukurma , Moritz Humer , Andreas Grüneis , Georg Kresse

Sampling the reciprocal Coulomb potential in finite anisotropic cells.

The Journal of chemical physics

Avec: Tobias Schäfer , William Z Van Benschoten , James J Shepherd , Andreas Grüneis

Cluster Superlattice Membranes.

ACS nano

Avec: Tobias Hartl , Moritz Will , Davor Čapeta , Rajendra Singh , Daniel Scheinecker , Virginia Boix de la Cruz , Sophia Dellmann , Paolo Lacovig , Silvano Lizzit , Boris V Senkovskiy , Alexander Grüneis , Marko Kralj , Jan Knudsen , Jani Kotakoski , Thomas Michely , Pantelis Bampoulis

Screened Exchange Corrections to the Random Phase Approximation from Many-Body Perturbation Theory.

Journal of chemical theory and computation

Avec: Felix Hummel , Andreas Grüneis , Georg Kresse , Paul Ziesche

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

The Journal of chemical physics

Avec: Andreas Irmler , Andreas Grüneis

Environmental Control of Charge Density Wave Order in Monolayer 2H-TaS

ACS nano

Avec: Joshua Hall , Niels Ehlen , Jan Berges , Erik van Loon , Camiel van Efferen , Clifford Murray , Malte Rösner , Jun Li , Boris V Senkovskiy , Martin Hell , Matthias Rolf , Tristan Heider , María C Asensio , José Avila , Lukasz Plucinski , Tim Wehling , Alexander Grüneis , Thomas Michely

Tunneling current modulation in atomically precise graphene nanoribbon heterojunctions.

Nature communications

Avec: Boris V Senkovskiy , Alexey V Nenashev , Seyed K Alavi , Yannic Falke , Martin Hell , Pantelis Bampoulis , Dmitry V Rybkovskiy , Dmitry Yu Usachov , Alexander V Fedorov , Alexander I Chernov , Florian Gebhard , Klaus Meerholz , Dirk Hertel , Masashi Arita , Taichi Okuda , Koji Miyamoto , Kenya Shimada , Felix R Fischer , Thomas Michely , Sergei D Baranovskii , Klas Lindfors , Thomas Szkopek , Alexander Grüneis

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

The Journal of chemical physics

Avec: Alejandro Gallo , Felix Hummel , Andreas Irmler , Andreas Grüneis

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

The Journal of chemical physics

Avec: Andreas Irmler , Alejandro Gallo , Andreas Grüneis

Direct Spectroscopic Evidence of Magnetic Proximity Effect in MoS

ACS nano

Avec: Vladimir Voroshnin , Artem V Tarasov , Kirill A Bokai , Alla Chikina , Boris V Senkovskiy , Niels Ehlen , Dmitry Yu Usachov , Alexander Grüneis , Maxim Krivenkov , Jaime Sánchez-Barriga , Alexander Fedorov

Averting the Infrared Catastrophe in the Gold Standard of Quantum Chemistry.

Physical review letters

Avec: Nikolaos Masios , Andreas Irmler , Tobias Schäfer , Andreas Grüneis

Réseau de co-auteurs

Andreas Grüneis 16 collaborations

Andreas Irmler 8 collaborations

Boris V Senkovskiy 6 collaborations

Tobias Schäfer 6 collaborations

Niels Ehlen 5 collaborations

Alejandro Gallo 5 collaborations

Felix Hummel 5 collaborations

Georg Kresse 4 collaborations

Martin Hell 4 collaborations

Yannic Falke 4 collaborations

Thomas Michely 4 collaborations

James J Shepherd 3 collaborations

Alexander I Chernov 3 collaborations

Andrea Zen 2 collaborations

Angelos Michaelides 2 collaborations

Giovanni Marini 2 collaborations

Giovanni Di Santo 2 collaborations

Luca Petaccia 2 collaborations

Gianni Profeta 2 collaborations

Thomas Szkopek 2 collaborations

William Z Van Benschoten 2 collaborations

Felix R Fischer 2 collaborations

Nikolaos Masios 2 collaborations

Pantelis Bampoulis 2 collaborations

Dmitry Yu Usachov 2 collaborations

Jan Gerit Brandenburg 1 collaboration

Martin Fitzner 1 collaboration

Benjamin Ramberger 1 collaboration

Theodoros Tsatsoulis 1 collaboration

Dario Alfè 1 collaboration

Eddwi Hesky Hasdeo 1 collaboration

Riichiro Saito 1 collaboration

Mark Oliver Goerbig 1 collaboration

Charlotte Herbig 1 collaboration

Christian Teichert 1 collaboration

Wouter Jolie 1 collaboration

Jose Avila 1 collaboration

Diego M de la Torre 1 collaboration

Florian Libisch 1 collaboration

Tina N Mihm 1 collaboration

Sai Kumar Ramadugu 1 collaboration

Laura Weiler 1 collaboration

Jack W Jordan 1 collaboration

Graham A Rance 1 collaboration

E Stephen Davies 1 collaboration

Anabel E Lanterna 1 collaboration

Jesum Alves Fernandes 1 collaboration

Quentin Ramasse 1 collaboration

Graham N Newton 1 collaboration

Andrei N Khlobystov 1 collaboration

Ayse Melis Aygar 1 collaboration

Oliver Durnan 1 collaboration

Bahar Molavi 1 collaboration

Sam N R Bovey 1 collaboration

Johanna P Carbone 1 collaboration

Lena Wysocki 1 collaboration

Tomas Marangoni 1 collaboration

Rebecca A Durr 1 collaboration

Benjamin X Shi 1 collaboration

Venkat Kapil 1 collaboration

Péter R Nagy 1 collaboration

Maristella Alessio 1 collaboration

Garrette Pauley Paran 1 collaboration

Cansu Utku 1 collaboration

Thomas-C Jagau 1 collaboration

Amir Taheridehkordi 1 collaboration

Martin Schlipf 1 collaboration

Zoran Sukurma 1 collaboration

Moritz Humer 1 collaboration

Tobias Hartl 1 collaboration

Moritz Will 1 collaboration

Davor Čapeta 1 collaboration

Rajendra Singh 1 collaboration

Daniel Scheinecker 1 collaboration

Virginia Boix de la Cruz 1 collaboration

Sophia Dellmann 1 collaboration

Paolo Lacovig 1 collaboration

Silvano Lizzit 1 collaboration

Marko Kralj 1 collaboration

Jan Knudsen 1 collaboration

Jani Kotakoski 1 collaboration

Paul Ziesche 1 collaboration

Joshua Hall 1 collaboration

Jan Berges 1 collaboration

Erik van Loon 1 collaboration

Camiel van Efferen 1 collaboration

Clifford Murray 1 collaboration

Malte Rösner 1 collaboration

Jun Li 1 collaboration

Matthias Rolf 1 collaboration

Tristan Heider 1 collaboration

María C Asensio 1 collaboration

José Avila 1 collaboration

Lukasz Plucinski 1 collaboration

Tim Wehling 1 collaboration

Alexey V Nenashev 1 collaboration

Seyed K Alavi 1 collaboration

Dmitry V Rybkovskiy 1 collaboration

Alexander V Fedorov 1 collaboration

Florian Gebhard 1 collaboration

Klaus Meerholz 1 collaboration

Dirk Hertel 1 collaboration

Masashi Arita 1 collaboration

Taichi Okuda 1 collaboration

Koji Miyamoto 1 collaboration

Kenya Shimada 1 collaboration

Sergei D Baranovskii 1 collaboration

Klas Lindfors 1 collaboration

Vladimir Voroshnin 1 collaboration

Artem V Tarasov 1 collaboration

Kirill A Bokai 1 collaboration

Alla Chikina 1 collaboration

Maxim Krivenkov 1 collaboration

Jaime Sánchez-Barriga 1 collaboration

Alexander Fedorov 1 collaboration