24 citations · 39 across the 3 of their papers we have counts for
3 papers
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials
Andrij Vasylenko, Benjamin Asher, Chris C. Collins +4
Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches…
Role of the self-interaction error in studying chemisorption on graphene from first-principles
Simone Casolo, Espen Flage-Larsen, Ole Martin Løvvik +2
Adsorption of gaseous species, and in particular of hydrogen atoms, on graphene is an important process for the chemistry of this material. At the equilibrium geometry, the H atom…
Vibrational properties of hexagonal LiBC: Infrared and Raman spectroscopy
J. Hlinka, V. Zelezny, I. Gregora +5
The paper presents infrared reflectivity and micro-Raman scattering spectra of LiBC powder pellets. The experiment allowed assignment of frequencies of all infrared and Raman activ…