Concepedia

Álvaro Vázquez‐Mayagoitia

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39

Publications

2.7K

Citations

22

H-Index

2005

Active since

Affiliations

Argonne National Laboratory(Current)

Oak Ridge National Laboratory

Universidad Autónoma Metropolitana

University of Cambridge

Argonne Leadership Computing Facility

Álvaro Vázquez‐Mayagoitia is an author at Argonne National Laboratory specializing in engineering, computational chemistry, and chemistry.

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Publications per year

2005–2024

39

Publications

39

Report on the sixth blind test of organic crystal structure prediction methods

Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016 · 593 citations · Full text

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Machine learning of molecular electronic properties in chemical compound space

Grégoire Montavon, Matthias Rupp, Vivekanand V. Gobre et al. · Repository for Publications and Research Data (ETH Zurich) · 2013 · 391 citations · Full text

Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide

Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur et al. · Apollo (University of Cambridge) · 2019 · 184 citations · Full text

Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites

Chi Liu, William Huhn, Ke‐Zhao Du et al. · Physical Review Letters · 2018 · 141 citations · Full text

ELSI: A unified software interface for Kohn–Sham electronic structure solvers

Victor Wen‐zhe Yu, Fabiano Corsetti, Alberto Garcı́a et al. · Computer Physics Communications · 2017 · 133 citations · Full text

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