Álvaro Vázquez-Mayagoitia

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 5

Top Topics

Walled Carbon Nanotubes

High Temperature

Molecular Docking

Single Molecule

Top Venues

Chemical science

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Tuğbey Kocabaş, Murat Keçeli, Álvaro Vázquez-Mayagoitia, Cem Sevik
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials. Nanoscale 15 (19) (2023)
Tuğbey Kocabaş, Murat Keçeli, Álvaro Vázquez-Mayagoitia, Cem Sevik
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials. Nanoscale (2023)
Tuğbey Kocabaş, Murat Keçeli, Álvaro Vázquez-Mayagoitia, Cem Sevik
Gaussian approximation potentials for accurate thermal properties of two-dimensional materials. Nanoscale 15 (19) (2023)
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, Álvaro Vázquez-Mayagoitia, Robert A DiStasio, Alexandre Tkatchenko
"Freedom of design" in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties. Chemical science 14 (39) (2023)
Jeremy Feinstein, Ganesh Sivaraman, Kurt Picel, Brian Peters, Álvaro Vázquez-Mayagoitia, Arvind Ramanathan, Margaret MacDonell, Ian Foster, Eugene Yan
Uncertainty-Informed Deep Transfer Learning of Perfluoroalkyl and Polyfluoroalkyl Substance Toxicity. Journal of chemical information and modeling 61 (12) (2021)