text: 288,121,1215314320189317120,2587793395,Jeannette (Jamie) Garcia,"New study up on arXiv this week! Check out our results on quantum chemistry calculations for salts formed during operation in lithium-sulfur batteries with @Daimler. Here we demonstrate a dipole moment calculation using #IBMQ hardware: <LINK>. @Daimler Also, check out my corresponding blog discussing our study and why we’re exploring chemistry with quantum computers: <LINK>.",https://arxiv.org/abs/2001.01120,"Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole moments are calculated along the dissociation curves for lithium hydride (LiH), hydrogen sulfide, lithium hydrogen sulfide and lithium sulfide. In all cases we focus on the breaking of a single bond, to obtain information about the stability of the molecular species being investigated. We calculate energies and a variety of electrostatic properties of these molecules using classical simulators of quantum devices, with up to 21 qubits for lithium sulfide. Moreover, we calculate the ground-state energy and dipole moment along the dissociation pathway of LiH using IBM quantum devices. This is the first example, to the best of our knowledge, of dipole moment calculations being performed on quantum hardware. ","Quantum Chemistry Simulations of Dominant Products in Lithium-Sulfur