Publications of Matthias Scheffler
All genres
Journal Article (603)
2019
Journal Article
Shen, Tonghao, , Igor Ying Zhang and Matthias Scheffler: Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems.
Journal Article
Sutton, Christopher A., Luca M. Ghiringhelli, , , , , , Xiangyue Liu, Angelo Ziletti and Matthias Scheffler: Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition.
Journal Article
Wang, Haiyuan, Sergey V. Levchenko, , , Matthias Scheffler and Mariana Rossi: Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111).
Journal Article
Zhang, Igor Ying, , , Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations.
Journal Article
Zhou, Yuanyuan, Matthias Scheffler and Luca M. Ghiringhelli: Determining surface phase diagrams including anharmonic effects.
2018
Journal Article
Draxl, Claudia and Matthias Scheffler: NOMAD: The FAIR concept for big data-driven materials science.
Journal Article
Kokott, Sebastian, Sergey V. Levchenko, and Matthias Scheffler: First-principles supercell calculations of small polarons with proper account for long-range polarization effects.
Journal Article
, , , , , , , , Matthias Scheffler, , , and Stefano Curtarolo: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.
Journal Article
Ouyang, Runhai, Stefano Curtarolo, Emre Ahmetcik, Matthias Scheffler and Luca M. Ghiringhelli: SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates.
Journal Article
Rasim, Karsten, , , , , , , Christian Carbogno, Matthias Scheffler and : Local Atomic Arrangements and Band Structure of Boron Carbide.
Journal Article
Scheffler, Matthias and Claudia Draxl: Ein FAIRes Datenkonzept der von Big Data gesteuerten Materialwissenschaften.
Journal Article
Shang, Honghui, Nathaniel Raimbault, , Matthias Scheffler, Mariana Rossi and Christian Carbogno: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT.
Journal Article
Zhang, Guo-Xu, Anthony Reilly, Alexandre Tkatchenko and Matthias Scheffler: Performance of various density-functional approximations for cohesive properties of 64 bulk solids.
Journal Article
Ziletti, Angelo, , Matthias Scheffler and Luca M. Ghiringhelli: Insightful classification of crystal structures using deep learning.
2017
Journal Article
Bhattacharya, Amrita, Christian Carbogno, , , and Matthias Scheffler: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking.
Journal Article
Carbogno, Christian, and Matthias Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids.
Journal Article
, and Matthias Scheffler: Computational materials: Open data settled in materials theory.
Journal Article
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
Journal Article
Ghiringhelli, Luca M., , Emre Ahmetcik, Runhai Ouyang, Sergey V. Levchenko, and Matthias Scheffler: Learning physical descriptors for materials science by compressed sensing.
Journal Article
Goldsmith, Bryan, Mario Boley, , Matthias Scheffler and Luca M. Ghiringhelli: Uncovering structure-property relationships of materials by subgroup discovery.