1 citations · 1 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2025★ 1 cited
Calculated state-of-the art results for solvation and ionization energies of thousands of organic molecules relevant to battery design
Jan Weinreich, Konstantin Karandashev, Daniel Jose Arismendi Arrieta +2
We present high-quality reference data for two fundamentally important groups of molecular properties related to a compound's utility as a lithium battery electrolyte. The first pr…
physics.chem-ph2025
Exact sampling of molecules in chemical space
Jan Weinreich, Konstantin Karandashev, Guido Falk von Rudorff
The concept of molecular similarity appears in many machine-learning algorithms based on the assumption that molecules with similar representations will also share similar properti…