“Freedom of design” in chemical compound space: towards rational <i>in silico</i> design of molecules with targeted quantum-mechanical properties
Leonardo Medrano Sandonas(University of Luxembourg), Alexandre Tkatchenko(University of Luxembourg), Robert A. DiStasio(Princeton University), Brian G. Ernst(Cornell University), Álvaro Vázquez‐Mayagoitia(Argonne National Laboratory), Johannes Hoja(University of Graz)
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