214 citations · 276 across the 7 of their papers we have counts for
3 papers · 1 filter
The role of steric effects on hydrogen atom transfer reactions
Yi Sun, Jacob N. Sanders, K. N. Houk
We explored how steric effects influence the rate of hydrogen atom transfer (HAT) reactions between oxyradicals and alkanes. Quantum chemical computations of transition states show…
A sparse-sampling approach for the fast computation of matrices: application to molecular vibrations
Jacob N. Sanders, Xavier Andrade, Alán Aspuru-Guzik
This article presents a new method to compute matrices from numerical simulations based on the ideas of sparse sampling and compressed sensing. The method is useful for problems wh…
Application of compressed sensing to the simulation of atomic systems
X. Andrade, J. N. Sanders, A. Aspuru-Guzik
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and eng…