36 citations · 40 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024★ 36 cited
Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS
Simon Müller, Thomas Nevolianis, Miquel Garcia-Ratés +3
The accurate prediction of solvation free energies is critical for understanding various phenomena in the liquid phase, including reaction rates, equilibrium constants, activity co…
physics.chem-ph2022★ 4 cited
Quantum Computing in Pharma: A Multilayer Embedding Approach for Near Future Applications
Robert Izsak, Christoph Riplinger, Nick S. Blunt +6
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treati…