4 citations · 4 across the 2 of their papers we have counts for
3 papers
Sample-based quantum simulation of vibrational structure of polyyne chains
Sarah Mostame, Tanvi P. Gujarati, Alberto Baiardi +3
Predicting anharmonic vibrational spectra is a complex computational task, which becomes quickly infeasible as molecular size and the number of vibrational basis functions increase…
Compact and accurate chemical mechanism for methane pyrolysis with PAH growth
Alexander Khrabry, Igor D. Kaganovich, Yuri Barsukov +3
A reliable and compact chemical mechanism of gas-phase methane pyrolysis leading to formation of large polycyclic aromatic hydrocarbon (PAH) molecules has been developed. This mode…
Refining resource estimation for the quantum computation of vibrational molecular spectra through Trotter error analysis
Dimitar Trenev, Pauline J Ollitrault, Stuart M. Harwood +4
Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with…