Matthias Scheffler

Publication Activity (10 Years)

Years Active: 2001-2023
Publications (10 Years): 17

Top Topics

Perturbation Theory

Structured Representations

Basis Functions

Top Venues

Comput. Phys. Commun.

J. Open Source Softw.

J. Chem. Inf. Model.

Publications

Marcel F. Langer, Florian Knoop, Christian Carbogno, Matthias Scheffler, Matthias Rupp
Heat flux for semi-local machine-learning potentials. CoRR (2023)
Mario Boley, Felix Luong, Simon Teshuva, Daniel F. Schmidt, Lucas Foppa, Matthias Scheffler
From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery. CoRR (2023)
Benjamin Regler, Matthias Scheffler, Luca M. Ghiringhelli
TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. Data Min. Knowl. Discov. 36 (5) (2022)
Evgeny Moerman, Felix Hummel, Andreas Grüneis, Andreas Irmler, Matthias Scheffler
Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions. J. Open Source Softw. 7 (74) (2022)
Thomas A. r. Purcell, Matthias Scheffler, Christian Carbogno, Luca M. Ghiringhelli
SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach. J. Open Source Softw. 7 (71) (2022)
Sebastian Kokott, Iker Hurtado, Christian Vorwerk, Claudia Draxl, Volker Blum, Matthias Scheffler
GIMS: Graphical Interface for Materials Simulations. J. Open Source Softw. 6 (57) (2021)
Benjamin Regler, Matthias Scheffler, Luca M. Ghiringhelli
TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions. CoRR (2020)
Florian Knoop, Thomas A. r. Purcell, Matthias Scheffler, Christian Carbogno
FHI-vibes: _Ab Initio_ Vibrational Simulations. J. Open Source Softw. 5 (55) (2020)
Pavel Kus, Andreas Marek, Simone S. Köcher, Hagen-Henrik Kowalski, Christian Carbogno, Christoph Scheurer, Karsten Reuter, Matthias Scheffler, Hermann Lederer
Optimizations of the eigensolvers in the ELPA library. Parallel Comput. 85 (2019)
Hans-Joachim Bungartz, Christian Carbogno, Martin Galgon, Thomas Huckle, Simone S. Köcher, Hagen-Henrik Kowalski, Pavel Kus, Bruno Lang, Hermann Lederer, Valeriy Manin, Andreas Marek, Karsten Reuter, Michael Rippl, Matthias Scheffler, Christoph Scheurer
ELPA: A Parallel Solver for the Generalized Eigenvalue Problem. PARCO (2019)
Sergey V. Levchenko, Matthias Scheffler
Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. Comput. Phys. Commun. 237 (2019)
Pavel Kus, Andreas Marek, Simone S. Koecher, Hagen-Henrik Kowalski, Christian Carbogno, Christoph Scheurer, Karsten Reuter, Matthias Scheffler, Hermann Lederer
Optimizations of the Eigensolvers in the ELPA Library. CoRR (2018)
Corey Oses, Eric Gossett, David Hicks, Frisco Rose, Michael J. Mehl, Eric Perim, Ichiro Takeuchi, Stefano Sanvito, Matthias Scheffler, Yoav Lederer, Ohad Levy, Cormac Toher, Stefano Curtarolo
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. J. Chem. Inf. Model. 58 (12) (2018)
Honghui Shang, Christian Carbogno, Patrick Rinke, Matthias Scheffler
Lattice dynamics calculations based on density-functional perturbation theory in real space. Comput. Phys. Commun. 215 (2017)
Karlheinz Schwarz, Lu J. Sham, Ann E. Mattsson, Matthias Scheffler
Obituary for Walter Kohn (1923-2016). Comput. 4 (4) (2016)
Franz Knuth, Christian Carbogno, Viktor Atalla, Volker Blum, Matthias Scheffler
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Comput. Phys. Commun. 190 (2015)
Sergey V. Levchenko, Xinguo Ren, Jürgen Wieferink, Rainer Johanni, Patrick Rinke, Volker Blum, Matthias Scheffler
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Comput. Phys. Commun. 192 (2015)
Hong Jiang, Ricardo I. Gómez-Abal, Xin-Zheng Li, Christian Meisenbichler, Claudia Ambrosch-Draxl, Matthias Scheffler
code based on the all-electron augmented plane wave method. Comput. Phys. Commun. 184 (2) (2013)
Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu, Xinguo Ren, Karsten Reuter, Matthias Scheffler
Ab initio molecular simulations with numeric atom-centered orbitals. Comput. Phys. Commun. 180 (11) (2009)
Ville Havu, Volker Blum, Paula Havu, Matthias Scheffler
Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions. J. Comput. Phys. 228 (22) (2009)
Christoph Freysoldt, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, R. W. Godby, Matthias Scheffler
Dielectric anisotropy in the GW space-time method. Comput. Phys. Commun. 176 (1) (2007)
A. Qteish, A. I. Al-Sharif, M. Fuchs, Matthias Scheffler, Sixten Boeck, Jörg Neugebauer
Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Comput. Phys. Commun. 169 (1-3) (2005)
Peter Kratzer, Matthias Scheffler
Surface knowledge: toward a predictive theory of materials. Comput. Sci. Eng. 3 (6) (2001)
Renate Dohmen, Jakob Pichlmeier, Max Petersen, Frank Wagner, Matthias Scheffler
Parallel FP-LAPW for distributed-memory machines. Comput. Sci. Eng. 3 (4) (2001)