Álvaro Vázquez‐Mayagoitia

Author

Also Known As

A Vázquez-Mayagoitia, Alvaro Vazquez-Mayagoitia, Alvaro Vázquez-Mayagoitia, Dirkes, D., Liu, C., Rowe, Kris, Vazquez-Mayagoitia, Alvaro, Vázquez-Mayagoitia, Álvaro, Álvaro Vazquez-Mayagoitia, Álvaro Vázquez-Mayagoitia

106

Publications

2.8K

Citations

H-Index

Concepts

All Affiliations

Argonne National Laboratory Oak Ridge National Laboratory Universidad Autónoma Metropolitana University of Cambridge Argonne Leadership Computing Facility

ÁV

About

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

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	13	20	1.4K
2	Natural Sciences	11	12	267
3	Medicine	3	3	768
4	Applied Physics	3	3	88
5	Biochemistry	2	2	26

Álvaro Vázquez‐Mayagoitia

Publications

2.7K

Citations

H-Index

Page 1

	Year	Citations
Report on the sixth blind test of organic crystal structure prediction methods Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials Crystal StructureEngineeringOrganic ChemistryComputational ChemistryChemistry	2016	593
Machine learning of molecular electronic properties in chemical compound space Grégoire Montavon, Matthias Rupp, Vivekanand V. Gobre, Repository for Publications and Research Data (ETH Zurich)	2013	391
Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide Ganesh Sivaraman, Anand Narayanan Krishnamoorthy, Matthias Baur, Apollo (University of Cambridge)	2019	184
Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites Chi Liu, William Huhn, Ke‐Zhao Du, Physical Review Letters	2018	141
ELSI: A unified software interface for Kohn–Sham electronic structure solvers Victor Wen‐zhe Yu, Fabiano Corsetti, Alberto Garcı́a, Computer Physics Communications Numerical AnalysisNumerical ComputationEngineeringNumerical SimulationUnified Software Interface	2017	133
GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction Farren Curtis, Xiayue Li, Timothy Rose, Journal of Chemical Theory and Computation EngineeringStructural BioinformaticsBiomolecular Structure PredictionMolecular BiologyComputational Chemistry	2018	126
Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations Alex Willand, Y. O. Kvashnin, Luigi Genovese, The Journal of Chemical Physics	2013	122
Comparative dataset of experimental and computational attributes of UV/vis absorption spectra Edward J. Beard, Ganesh Sivaraman, Álvaro Vázquez‐Mayagoitia, Scientific Data	2019	108
An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approximations Álvaro Vázquez‐Mayagoitia, C. David Sherrill, Edoardo Aprà, Journal of Chemical Theory and Computation	2010	96
Substituent Effect on a Family of Quinones in Aprotic Solvents: An Experimental and Theoretical Approach Carlos Frontana, Álvaro Vázquez‐Mayagoitia, Jorge Garza, The Journal of Physical Chemistry A Chemical KineticsEngineeringOrganic ChemistryComputational ChemistryChemistry	2006	77

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