Scheffler, Matthias

Max Planck Society

0H指数

0论文数

0被引数

收录论文 7

发表时间

All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: Algorithm and benchmarks

PHYSICAL REVIEW MATERIALS

IF3.4

2021-01-28

OAAI

Ren, Xinguo; Merz, Florian; Jiang, Hong; Yao, Yi; Rampp, Markus; Lederer, Hermann; Blum, Volker; Scheffler, Matthias

Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature

PHYSICAL REVIEW MATERIALS

IF3.4

2019-01-18

OAAI

Goldsmith, Bryan R.; Florian, Jacob; Liu, Jin-Xun; Gruene, Philipp; Lyon, Jonathan T.; Rayner, David M.; Fielicke, Andre; Scheffler, Matthias; Ghiringhelli, Luca M.

SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates SISSO: 一种压缩感知方法，用于在大量提供的候选人中识别最佳的低维描述符

PHYSICAL REVIEW MATERIALS

IF3.4

2018-08-07

629

OAAI

Ouyang, Runhai; Curtarolo, Stefano; Ahmetcik, Emre; Scheffler, Matthias; Ghiringhelli, Luca M.

Insightful classification of crystal structures using deep learning 使用深度学习对晶体结构进行有见地的分类

NATURE COMMUNICATIONS

IF15.7

2018-07-17

290

OAAI

Ziletti, Angelo; Kumar, Devinder; Scheffler, Matthias; Ghiringhelli, Luca M.

On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-10-15

136

OAAI

Santra, Biswajit; Klimes, Jiri; Tkatchenko, Alexandre; Alfe, Dario; Slater, Ben; Michaelides, Angelos; Car, Roberto; Scheffler, Matthias

How Cations Change Peptide Structure

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2013-07-12

OAAI

Baldauf, Carsten; Pagel, Kevin; Warnke, Stephan; von Helden, Gert; Koksch, Beate; Blum, Volker; Scheffler, Matthias

Random-phase approximation and its applications in computational chemistry and materials science 随机相位近似及其在计算化学和材料科学中的应用

JOURNAL OF MATERIALS SCIENCE

IF3.9

2012-06-08

485

PREAI

Ren, Xinguo; Rinke, Patrick; Joas, Christian; Scheffler, Matthias

研究方向