The NOMAD team hosted NOMAD Summer, a Hands-on course on novel materials discovery, 25 - 29 Sept 2017 in Berlin, Germany.

     

 

Presentations from the course are provided below. More information on the tutorials from the course is available here.

Slides

M. Scheffler: A primer to NOMAD PDF

 

Keynote Talks

S. Curtarolo: The seek for fingerprints in materials prediction PDF

J. Vibyral: Compressed sensing PDF

D. Kranzlmüller: Scientific and Information Visualization - Possibilities and Challenges PDF

T. Mueller: Practical applications of Bayesian cluster expansions PDF

G. Pilania: Materials property predictions using machine learning: Recent examples and future outlook PDF

A. v. Lilienfeld: Quantum machine learning PDF

 

NOMAD Repository and Archive

J. Shin: Introduction to the NOMAD Repository PDF

A. Sastre: The NOMAD Archive: metadata and normalisation PDF

 

NOMAD Advanced Graphics

M. Rampp: Introduction to Advanced Graphics PDF

R. García-Hernández: Virtual reality tools: overview, demonstrations PDF 

Team: NOMAD Graphics Toolkit, VR demonstrations PDF (slides) PDF (Handout)

 

NOMAD Analytics Toolkit

L. Ghiringhelli: Introduction to the Analytics Toolkit PDF

R. Ouyang: Searching for material descriptors by SISSO PDF

M. Troppenz: Cluster expansion for large parent cells: clathrates as a prototypical example PDF

S. Rigamonti, M. Troppenz, A. Hübner: Cluster expansion, ab initio thermodynamics, and cross validation PDF (Rigamonti) PDF (Troppenz) PDF (Hübner)

M. Boley: Subgroup discovery PDF

A. Ziletti: Insightful crystal classification using deep learning PDF

K. Thygesen: Computational screening of materials PDF

M. Strange: NOMAD Analytics Toolkit: Error estimation PDF

S. Lysgaard: Introduction to practical session: The Atomic Simulation Environment (ASE) and genetic algorithms PDF

G. Csanyi: Overview of kernel-based machine learning of atomistic properties PDF

J. Kermode: On the fly learning of forces PDF

 

NOMAD Encyclopedia

C. Draxl: Displaying computed scientific results PDF

L. Calvo: How to design an application? PDF

G. Huhs: All about the NOMAD Encyclopedia PDF