Computational Chemistry and Nanomaterials Sciences Group
The Computational Chemistry and Nanomaterials Sciences Group delivers chemical, nanomaterials and condensed phase science at the forefront of the field through high-performance computing and leads and contributes to the development of Quantum Monte Carlo, computational chemistry methodology, and Hubbard applications, as well as machine-learning methods for experimental data.
Application examples include QMCPACK, DCA++, and more.
Contact
Senior R&D Staff Member and Group Leader, Computational Chemistry and Nanomaterials Sciences Group
![Stephan Irle](/sites/default/files/styles/staff_profile_image_style/public/2021-08/2021-P04136sm_0.jpg?h=c4a324aa&itok=aUB-GIQ2)