Research Scientist / Postdoctoral Researcher for the Development of Molecular Software and Theory through Foundation Models

Job posting for my unit.



ACM Second Asian School on High-Performance Computing and Artificial Intelligence

I advertise an upcoming HPC school in Kobe.



Reducing numerical precision requirements in quantum chemistry calculations

I announce an article about using low precision tensor cores for quantum chemistry calculations.



Data Quality in the Fitting of Approximate Models: A Computational Chemistry Perspective

I share a paper we wrote about data quality in computational chemistry calculations, and spend some time hacking Libxc.



Roadmap on methods and software for electronic structure based simulations in chemistry and materials

I announce a new roadmap article that I helped write is now published in Electronic Structure.