Matthias Scheffler

11PUBLICATIONS

120CO-AUTHORS

Main group metal chemistryCatalysis and mechanisms of reactionsFunctional materialsTheoretical quantum chemistryStatistical mechanics in chemistry

Get your video featured.

Publish with JoVE

Get your video featured.

Publish with JoVE

Publications (11)

Sort by Publication Date:

|May 14, 2026

Role of monodentate formate in product selectivity for CO<sub>2</sub> hydrogenation on Pd-based alloy catalysts.

|May 11, 2026

Rethinking catalysis: interpretable AI and description of real-world conditions <i>via</i> materials genes.

|Aug 29, 2025

Materials Database from All-electron Hybrid Functional DFT Calculations.

Akhil S Nair, Lucas Foppa, Matthias Scheffler

|Jul 11, 2024

Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.

Sebastian Kokott, Florian Merz, Yi Yao

|Jan 18, 2024

Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework.

Sheng Bi, Christian Carbogno, Igor Ying Zhang

|Sep 18, 2023

Recent advances in the SISSO method and their implementation in the SISSO++ code.

Thomas A R Purcell, Matthias Scheffler, Luca M Ghiringhelli

Pageof 2

Frequent Collaborators

Claudia Draxl

Christian Carbogno

Shyam Dwaraknath

Giovanni Pizzi

Gian-Marco Rignanese

Lucas Foppa

Luca M Ghiringhelli

Christof Wöll

Christoph T Koch

Andrew J Logsdail

Frequent Collaborators

Claudia Draxl

Christian Carbogno

Shyam Dwaraknath

Giovanni Pizzi