Q-Chem Webinar 42

István Ladjánszki is the Chief Scientist of the BrianQC project, works in the field of high speed GPU implementation of quantum chemistry related calculations. He received his degree in theoretical physics from the Budapest University of Technology and Economics (BUTE) in 2011. His thesis on Reduced scaling Hartree-Fock calculations using tensor decomposition and neural network was awarded first prize on the National Scientific Students’ Associations Conference. From 2010 to 2013 he worked at BUTE as an associate researcher on the MRCC quantum chemistry program package. He has experience in the implementation of quantum chemistry related integral and Hartree-Fock level approximation codes and machine learning methods.

The BrianQC project started in 2013, and since then we developed a shared library (and a standalone software utilizing the library) capable of one- and two-electron integral calculations (Coulomb and exchange up to g-type orbitals) and Hartree-Fock level wavefunction optimizations (SCF and DFT methods) on heterogeneous GPU clusters. Our team has professionals from different areas including computational quantum chemistry, information technology, computer engineering and infobionics. We have close collaboration with universities and research institutes from Japan to the US.