40 citations · 48 across the 4 of their papers we have counts for
4 papers
Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
Werner Dobrautz, Igor O. Sokolov, Ke Liao +4
Quantum computing is emerging as a new computational paradigm with the potential to transform several research fields, including quantum chemistry. However, current hardware limita…
Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry
Phalgun Lolur, Mårten Skogh, Christopher Warren +6
Decoherence and gate errors severely limit the capabilities of state-of-the-art quantum computers. This work introduces a strategy for reference-state error mitigation (REM) of qua…
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model
Roberto Cammi, Bo Chen, Martin Rahm
We show that the pressure acting on atoms and molecular systems within the compression cavity of the eXtreme-Pressure Polarizable Continuum method can be expressed in terms of the…
A co-crystal between benzene and ethane, an evaporite material for Saturn's moon Titan
Helen E. Maynard-Casely, Robert Hodyss, Morgan L. Cable +1
Using synchrotron powder diffraction the structure of a co-crystal between benzene and ethane has been determined. The structure is remarkable, a lattice of benzene molecules playi…