Our NAFFS method is out! Speed up your excited-state dynamics no matter which potential you want to use (ab initio, #ML, …) Yes, you can speed up #machinelearning based dynamics! And overcome excited-state barriers!
Work with Madlen, Brigitta, Max, Sebastian, @leti_gonzalez @CHHDellago #compchem #openpathsampling #univienna #virapid https://doi.org/10.1021/acs.jctc.2c01088