Matthias Scheffler

Orcid: 0000-0002-1280-9873

According to our database¹, Matthias Scheffler authored at least 22 papers between 2001 and 2023.

Collaborative distances:

Dijkstra number² of four.
Erdős number³ of four.

Timeline

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PhD thesis

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On csauthors.net:

Bibliography

2023

From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery.

[BibT_eX]

[DOI]

CoRR, 2023

Heat flux for semi-local machine-learning potentials.

[BibT_eX]

[DOI]

CoRR, 2023

2022

SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach.

[BibT_eX]

[DOI]

J. Open Source Softw., 2022

Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions.

[BibT_eX]

[DOI]

J. Open Source Softw., 2022

TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions.

[BibT_eX]

[DOI]

Benjamin Regler

Matthias Scheffler

Luca M. Ghiringhelli

Data Min. Knowl. Discov., 2022

2021

GIMS: Graphical Interface for Materials Simulations.

[BibT_eX]

[DOI]

J. Open Source Softw., 2021

2020

FHI-vibes: _Ab Initio_ Vibrational Simulations.

[BibT_eX]

[DOI]

J. Open Source Softw., 2020

2019

Optimizations of the eigensolvers in the ELPA library.

[BibT_eX]

[DOI]

Pavel Kus

Andreas Marek

Simone S. Köcher

Hagen-Henrik Kowalski

Parallel Comput., 2019

Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations.

[BibT_eX]

[DOI]

Sergey V. Levchenko

Matthias Scheffler

Comput. Phys. Commun., 2019

ELPA: A Parallel Solver for the Generalized Eigenvalue Problem.

[BibT_eX]

[DOI]

Hans-Joachim Bungartz

Hagen-Henrik Kowalski

Proceedings of the Parallel Computing: Technology Trends, 2019

2018

AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2018

2017

Lattice dynamics calculations based on density-functional perturbation theory in real space.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2017

2016

Obituary for Walter Kohn (1923-2016).

[BibT_eX]

[DOI]

Comput., 2016

2015

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2015

All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2015

2013

FHI-gap: A <i>GW</i> code based on the all-electron augmented plane wave method.

[BibT_eX]

[DOI]

Hong Jiang

Ricardo I. Gómez-Abal

Xin-Zheng Li

Christian Meisenbichler

Claudia Ambrosch-Draxl

Matthias Scheffler

Comput. Phys. Commun., 2013

2009

Efficient O(N) integration for all-electron electronic structure calculation using numeric basis functions.

[BibT_eX]

[DOI]

J. Comput. Phys., 2009

Ab initio molecular simulations with numeric atom-centered orbitals.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2009

2007

Dielectric anisotropy in the GW space-time method.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2007

2005

Exact-exchange calculations of the electronic structure of AlN, GaN and InN.

[BibT_eX]

[DOI]

Comput. Phys. Commun., 2005

2001

Surface knowledge: toward a predictive theory of materials.

[BibT_eX]

[DOI]

Peter Kratzer

Matthias Scheffler

Comput. Sci. Eng., 2001

Parallel FP-LAPW for distributed-memory machines.

[BibT_eX]

[DOI]

Comput. Sci. Eng., 2001

Matthias Scheffler

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