Current research
 Electronic structure on graphics processing units (GPUs)
 I developed an approach to perform DFT calculations efficiently using GPUs. The code, based on a realspace discretization, is one of the fastest DFT implementations available.
 Massive parallelization
 I have worked in the parallelization of electronic structure calculations on supercomputing platforms, in particular of the realtime TDDFT approach. The resulting implementation can scale to 100,000 cores.
 Development of the Octopus electronicstructure code
 I am one of the main developers of Octopus, an open source package for electronicstructure simulations used by many research groups. I have implemented several components and coordinated the development effort.
Past research
 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.
 The gap problem in density functional theory (DFT)
 I proposed a new approach to address the asymptoticlimit problem in DFT and to predict the fundamental gap. The method gives accurate energy levels for atomic and molecular systems.
 Dynamic Sternheimer equation
 I developed an new approach for frequencydependent linear and nonlinear response in timedependent density functional theory (TDDFT). The method was applied to the calculation of different properties publications.
 Modified Ehrenfest molecular dynamics
 My collaborators and I proposed a new method for ab initio molecular dynamics based on the Ehrenfest approach that is more efficient for large systems than CarParrinello and BornOppenheimer methods.