95 citations · 891 across the 34 of their papers we have counts for
22 papers · 1 filter
Computing excited states of molecules using normalizing flows
Yahya Saleh, Álvaro Fernández Corral, Emil Vogt +3
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describin…
Self-broadening and self-shift in the band of ammonia from mid-infrared-frequency-comb spectroscopy
Guang Yang, Vinicius Silva de Oliveira, Dominic Laumer +4
We report the broadband absorption spectrum of the band of NH near 4 . The data were recorded using a mid-infrared frequency comb coupled to a homebuilt F…
Active learning of potential-energy surfaces of weakly-bound complexes with regression-tree ensembles
Yahya Saleh, Vishnu Sanjay, Armin Iske +2
Several pool-based active learning algorithms (AL) were employed to model potential energy surfaces (PESs) with a minimum number of electronic structure calculations. Theoretical a…
Electric-quadrupole and magnetic-dipole contributions to the n2+n3 band of carbon dioxide near 3.3 micron
Hélène Fleurbaey, Roberto Grilli, Didier Mondelain +2
The recent detections of electric-quadrupole (E2) transitions in water vapor and magnetic-dipole (M1) transitions in carbon dioxide have opened a new field in molecular spectroscop…
Detecting handedness of spatially oriented molecules by Coulomb explosion imaging
Cem Saribal, Alec Owens, Andrey Yachmenev +1
We present a new technique for detecting chirality in the gas phase: Chiral molecules are spatially aligned in three-dimensions by a moderately strong elliptically-polarized laser…
Controlling rotation in the molecular-frame with an optical centrifuge
Emil J. Zak, Andrey Yachmenev, Jochen Küpper
We computationally demonstrate a new method for coherently controlling the rotation-axis direction in asymmetric top molecules with an optical centrifuge. Appropriately chosen elec…