XAVIERANDRADE.ORG

Xavier Andrade Research Page

PhD in Physics, University of the Basque Country, Spain. Department of Chemistry and Chemical Biology. Cambridge, MA 02138. 1 617 496 8221. Xandradevalencia [at] fas.harvard.edu. Compressed sensing for atomic simulations. I have shown that compressed sensing, a method to optimize the amount of samples required to reconstruct a signal, can also be applied to numerical simulations for reduced comp. The gap problem in density functional theory (DFT). Electronic structure on graphics processing units (GPUs).

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Xavier Andrade Research Page | xavierandrade.org Reviews

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PhD in Physics, University of the Basque Country, Spain. Department of Chemistry and Chemical Biology. Cambridge, MA 02138. 1 617 496 8221. Xandradevalencia [at] fas.harvard.edu. Compressed sensing for atomic simulations. I have shown that compressed sensing, a method to optimize the amount of samples required to reconstruct a signal, can also be applied to numerical simulations for reduced comp. The gap problem in density functional theory (DFT). Electronic structure on graphics processing units (GPUs).

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2 research

3 publications

4 scientific software

5 postdoctoral researcher

6 harvard university

7 12 oxford street

8 phone

9 e mail

10 research interests

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Xavier Andrade Research Page | xavierandrade.org Reviews

https://xavierandrade.org

PhD in Physics, University of the Basque Country, Spain. Department of Chemistry and Chemical Biology. Cambridge, MA 02138. 1 617 496 8221. Xandradevalencia [at] fas.harvard.edu. Compressed sensing for atomic simulations. I have shown that compressed sensing, a method to optimize the amount of samples required to reconstruct a signal, can also be applied to numerical simulations for reduced comp. The gap problem in density functional theory (DFT). Electronic structure on graphics processing units (GPUs).

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xavierandrade.org

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Electronic structure on graphics processing units (GPUs) | Xavier Andrade Research Page

http://www.xavierandrade.org/electronic-structure-on-graphics-processing-units-gpus

Electronic structure on graphics processing units (GPUs). I developed an approach to perform DFT calculations efficiently using GPUs. The code, based on a real-space discretization, is one of the fastest DFT implementations available. And A Aspuru-Guzik,. Real-space density functional theory on graphical processing units: computational approach and comparison to Gaussian basis set methods. Journal of Chemical Theory and Computation. Journal of Physics: Condensed Matter. And L Genovese,.

2

Scientific software | Xavier Andrade Research Page

http://www.xavierandrade.org/scientific-software

Is a scientific program aimed at the. Virtual experimentation on a hopefully ever-increasing range of system types. octopus is a software package for performing Kohn Sham density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations. The code is written predominantly in Fortran, with some C and Perl. It is released under the GPL. Lawrence Livermore National Laboratory. Design: C. Román.

3

Massive parallelization | Xavier Andrade Research Page

http://www.xavierandrade.org/massive-parallelization

I have worked in the parallelization of electronic structure calculations on supercomputing platforms, in particular of the real-time TDDFT approach. The resulting implementation can scale to 100,000 cores. P García-Risueño, J. Alberdi-Rodriguez, M. J. T. Oliveira, X. Andrade. M Pippig , J. Muguerza, A. Arruabarrena, and A. Rubio,. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations. Journal of Computational Chemistry. CC BY-NC-SA 2.0.

4

Development of the Octopus electronic-structure code | Xavier Andrade Research Page

http://www.xavierandrade.org/development-of-the-octopus-electronic-structure-code

Development of the Octopus electronic-structure code. I am one of the main developers of Octopus. An open source package for electronic-structure simulations used by many research groups. I have implemented several components and coordinated the development effort. J Alberdi-Rodriguez, D. A. Strubbe, M. J. T. Oliveira, F. Nogueira, A. Castro, J. Muguerza, A. Arruabarrena, S. G. Louie, A. Aspuru-Guzik, A. Rubio, and M. A. L. Marques,. Journal of Physics: Condensed Matter. Physica Status Solidi (b).

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Compressed sensing for atomic simulations | Xavier Andrade Research Page

http://www.xavierandrade.org/compressed-sensing-for-atomic-simulations

Compressed sensing for atomic simulations. I have shown that compressed sensing, a method to optimize the amount of samples required to reconstruct a signal, can also be applied to numerical simulations for reduced computational cost and increased precision. J N Sanders, and A. Aspuru-Guzik. Application of compressed sensing to the simulation of atomic systems. Proceedings of the National Academy of Sciences. 13928-13933 (2012). [Pdf file]. J N Sanders, S. Mostame, S. K. Saikin, X. Andrade.

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Alumni | Aspuru-Guzik Group

http://aspuru.chem.harvard.edu/alumni

Open Quantum Systems and Quantum Algorithms. The Clean Energy Project. Institute for Scientific Interchange. Of Science and Technology. Dept of Chemical Engineering. Institute for Molecular Science. Quantum Artificial Intelligence Lab. University of Notre Dame. Lecturer, Research Associate. Universidad de Santiago de Chile. Mount Sinai School of Medicine. New York, New York. Sir Henry Wellcome Fellow. London Centre for Nanotechnology. Lawrence Livermore National Lab. Max Planck Institute for the.

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Xavier Andrade Research Page

PhD in Physics, University of the Basque Country, Spain. Department of Chemistry and Chemical Biology. Cambridge, MA 02138. 1 617 496 8221. Xandradevalencia [at] fas.harvard.edu. Compressed sensing for atomic simulations. I have shown that compressed sensing, a method to optimize the amount of samples required to reconstruct a signal, can also be applied to numerical simulations for reduced comp. The gap problem in density functional theory (DFT). Electronic structure on graphics processing units (GPUs).

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