Stefan Boresch

1. Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method
   2010/12/31 by Stefan Brückner, Stefan Boresch · 2 citations
   Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Phase Equilibria and Thermodynamics #Spectroscopy and Quantum Chemical Studies
2. Efficiency of alchemical free energy simulations. II. Improvements for thermodynamic integration
   2010/12/31 by Stefan Brückner, Stefan Boresch · 2 citations
   Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Spectroscopy and Quantum Chemical Studies