I am Matthew. I do research on theoretical and computational chemistry. A long
time ago, I used to do experimental biochemistry/biomaterials work. I currently
contribute to PySCF,
OpenMolcas, and
sci-rs.
You can see all of my code projects and research, past
and present. My CV can be found here.
Update! Check out my latest articles:
- Analytic dipole moments for complete active space linearized pair-density functional theory published on the chemRxiv
- MC-PDFT Nuclear Gradients and L-PDFT Energies with Meta and Hybrid Meta On-Top Functionals for Ground- and Excited-State Geometry Optimization and Vertical Excitation Energies published in J. Chem. Theory Comput.
- Weighted Active Space Selection for Multireference Machine-Learned Potentials published on the arXiv
- Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications published on the arXiv
If you need to get in touch, feel free to send me an
email! I will hopefully respond unless it has
gotten trapped in my spam filter (likely). I am unlikely to respond on other
socials.