Jaime Axel Tristan Amadeo Rosal

The main focus of my research is the development and implementation of highly-efficient numerical algorithms for computational quantum chemistry as well as the formulation of novel multiscale methods for light-matter interaction at different regimes.

The following topics are currently of special interest to me:

• Efficient 1- and 2-electron integral algorithms for SCF and correlated calculations
• Accelerated subspace algorithms for linear response and ADC
• Reliable lossy-compression schemes for multidimensional tensors appearing in different models
• Algorithm parallelization and development of HPC code for hardware accelerators
• Models for exciton / plasmon coupling in molecule / nanoparticle / solvent systems
• Methods for computing X-ray absorbption spectra

I am a developer of the DALTON quantum chemistry suite, the upcoming GATOR program and a few related subprojects. I am also the creator and main developer of the FIESTA quantum chemistry package.

I work part time as Application Expert at the PDC Center for High Performance Computing, KTH, providing support for the center's HPC resources to fellow researchers in Sweden and the rest of the EU.