3 citations · 3 across the 1 of their papers we have counts for
2 papers
q-bio.BM2025
Unlocking hidden biomolecular conformational landscapes in diffusion models at inference time
Daniel D. Richman, Jessica Karaguesian, Carl-Mikael Suomivuori +1
The function of biomolecules such as proteins depends on their ability to interconvert between a wide range of structures or "conformations." Researchers have endeavored for decade…
physics.comp-ph2020★ 3 cited
Robust linear-scaling optimization of compact localized orbitals in density functional theory
Yifei Shi, Jessica Karaguesian, Rustam Z. Khaliullin
Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growt…