52 citations · 57 across the 5 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
physics.chem-ph2023★ 3 cited
Enabling Inverse Design in Chemical Compound Space: Mapping Quantum Properties to Structures for Small Organic Molecules
Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Computer-driven molecular design combines the principles of chemistry, physics, and artificial intelligence to identify novel chemical compounds and materials with desired properti…
quant-ph2023★ 2 cited
Modeling Non-Covalent Interatomic Interactions on a Photonic Quantum Computer
Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko
Non-covalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes. However, accurately capturing…