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Chemistry of Materials : a Publication of the American Chemical Society|March 3, 2025
Band-Gap Regression with Architecture-Optimized Message-Passing Neural NetworksTim Bechtel, Daniel T Speckhard, Jonathan Godwin, et al.Faraday Discussions|September 24, 2024
How big is big data?Daniel Speckhard, Tim Bechtel, Luca M Ghiringhelli, et al.Scientific Reports|July 3, 2026
Information-theoretic grid topology reconstruction using low-precision smart meter dataDaniel T SpeckhardJournal of Physics. Condensed Matter : an Institute of Physics Journal|July 1, 2017
Understanding the effects of packing and chemical terminations on the optical excitations of azobenzene-functionalized self-assembled monolayersCaterina Cocchi, Claudia DraxlPhysical Review Letters|February 16, 2019
Hybrid Organic-Inorganic Perovskites as Promising Substrates for Pt Single-Atom CatalystsQiang Fu, Claudia DraxlAccounts of Chemical Research|August 30, 2014
Organic/inorganic hybrid materials: challenges for ab initio methodologyClaudia Draxl, Dmitrii Nabok, Karsten HannewaldPhysical Chemistry Chemical Physics : PCCP|June 16, 2022
All-electron many-body approach to resonant inelastic X-ray scatteringChristian Vorwerk, Francesco Sottile, Claudia DraxlJournal of Chemical Theory and Computation|August 19, 2018
The LDA-1/2 Method Applied to Atoms and MoleculesRonaldo Rodrigues Pela, Andris Gulans, Claudia DraxlPhysical Review Letters|March 7, 2020
Ultrafast Hot Phonon Dynamics in MgB_{2} Driven by Anisotropic Electron-Phonon CouplingDino Novko, Fabio Caruso, Claudia Draxl, et al.Physical Review Letters|September 5, 2015
Computing Equilibrium Shapes of Wurtzite Crystals: The Example of GaNHong Li, Lutz Geelhaar, Henning Riechert, et al.Pageof 8