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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Lakshmanji Verma

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Aug 2026

Efficient Computation of Physical Charging Free Energies for Monatomic Ions at Any Charge along Alchemical Charging Pathways.

This work presents an efficient strategy, λ-resolved free energy (λFE), to generate databases that solve the challenge of resolving physical charging free energies at any intermediate charge state from a single alchemical free-energy simulation.

Lakshmanji Verma, Ken A. Dill · 0 citations

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