Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles Y Saleh, V Sanjay, A Iske, A Yachmenev, J Küpper The Journal of Chemical Physics 155 (14), 2021 | 3 | 2021 |
Augmenting basis sets by normalizing flows Y Saleh, A Iske, A Yachmenev, J Küpper PAMM 23 (1), e202200239, 2023 | 2 | 2023 |
Spectral and active learning for enhanced and computationally scalable quantum molecular dynamics Y Saleh PQDT-Global, 2023 | 1 | 2023 |
Computing excited states of molecules using normalizing flows Y Saleh, ÁF Corral, A Iske, J Küpper, A Yachmenev arXiv preprint arXiv:2308.16468, 2023 | | 2023 |
Two-layered and deep kernels as data-adapted kernels T Wenzel, Y Saleh, A Iske | | |
SPECTRAL LEARNING FOR SOLVING THE SCHRÖDINGER EQUATION FOR MOLECULES Y SALEH, J EGGERS, V SANJAY, A ISKE, A YACHMENEV, J KÜPPER | | |