The NOMAD Laboratory
A European Centre of Excellence







Mar 13, 2017

NOMAD at DPG 2017 Meeting

NOMAD will be well represented at the upcoming DPG meeting in Dresden, 19 - 24 March 2017.

Posted by: kylie

20 Mar

Impact of the electronic band structure in high-harmonic generation spectra of solids - Nicolas Tancogne-Dejean, Oliver D. Mucke, Franz X. Kartner, and Angel Rubio

Density matrix embedding theory for coupled fermion-boson systems - Teresa E. Reinhard, Uliana Mordovina, Heiko Appel, Joshua S. Kretchmer, Garnet K. L. Chan, and Angel Rubio

21 Mar

On the hunt for better functionals in DFT: a new quantum embedding scheme - Uliana Mordovina, Teresa E. Reinhard, Heiko Appel, and Angel Rubio

Intercalated porphines at the BN/Cu(111) interface: structure, electronic properties and function - Jacob Ducke, Alexander Riss, Alejandro Pérez Paz, Angel Rubio, Johannes V. Barth, and Willi Auwärter

22 Mar

High-throughput screening of transparent conducting oxides - Christopher Sutton, Robert J. N. Baldock, Luca M. Ghiringhelli, and Matthias Scheffler

The NOMAD (Novel Materials Discovery) Laboratory: Concepts, Challenges, and Results - Pasquale Pavone, Georg Huhs, Luca Ghiringhelli, Claudia Draxl, and Matthias Scheffler

The NOMAD Analytics Toolkit: Interactive Big-Data Driven Materials Science over the Web - Luca M. Ghiringhelli, Fawzi Mohamed, Ankit Kariryaa, Angelo Ziletti, Christian Carbogno, and Matthias Scheffler

The NOMAD Repository - a key service for the computational-materials science community - Jungho Shin, Thomas Zastrow, Lorenzo Pardini, Stefan Heinzel, Matthias Scheffler, and Claudia Draxl

Accessing micro- and mesoscopic ultrafast electron dynamics in low-dimensional materials - Michele Puppin, Christopher Nicholson, Melanie Müller, Roman Bertoni, Hannes Hübener, Angel Rubio, Claude Monney, Cephise Cacho, Martin Wolf, Alexander Paarmann, Laurenz Rettig, and Ralph Ernstorfer 

Charge and energy transport at the nanoscale: A DFT perspective - Florian G. Eich, Fabio Covito, and Angel Rubio

Time-dependent quantum transport in nanosystems: A nonequilibrium Green's function approach - Riku Tuovinen

Theoretical simulations of pump-probe spectroscopies in solids - Michael Sentef

Conditions for describing triplet states in reduced density matrix functional theory - Iris Theophilou, Nektarios N. Lathiotakis, and Nicole Helbig

23 Mar

2D Topological Insulators: Trends in Chemical Space - Carlos Mera Acosta, Christian Carbogno, Adalberto Fazzio, Luca M. Ghiringhelli, and Matthias Scheffler

Uncovering structure-property relationships of materials by subgroup discovery - Mario Boley, Bryan R. Goldsmith, Jilles Vreeken, Matthias Scheffler, and Luca M Ghiringhelli

Predicting lattice parameters of ternary compounds by compressed sensing - Benedikt Hoock, Santiago Rigamonti, Luca Ghiringhelli, Matthias Scheffler, and Claudia Draxl

Compressed-Sensing Models for the Prediction of the (Meta-)Stability of Octet Binaries - Emre Ahmetcik, Runhai Ouyang, Christian Carbogno, Luca M. Ghiringhelli, and Matthias Scheffler

Finding descriptors for material properties from billions of candidates via compressed sensing: accurate prediction of crystal structures and band gaps from only chemical composition - Runhai Ouyang, Emre Ahmetcik, Luca M. Ghiringhelli, and Matthias Scheffler

Automatic crystal-structure classification using X-ray diffraction patterns and convolutional neural networks - Angelo Ziletti, Matthias Scheffler, and Luca M. Ghiringhelli

Numerical Quality Control for DFT–based Materials Databases - C. Carbogno, K. S. Thygesen, B. Bieniek, C. Draxl, L. Ghiringhelli, A. Gulans, O. T. Hofmann, K. W. Jacobsen, S. Lubeck, J. J. Mortensen, M. Strange, E. Wruss, and M. Scheffler

Interlayer excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures - Simone Latini

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