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Updated: Jun 20, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
Published on: August 22, 2025
Inorganic energetics from mainframe to "back-of-envelope"
1Department of Chemistry, University of Warwick, Coventry CV4 7AL, West Midlands, UK.
Abstract:
On Thursday, 16 April 2009, Professor H. Donald. B. Jenkins presented an Exaugumral Lecture to a packed audience at the University of Warwiclk at a Symposium held to honour his retirement and to celebrate his 44-year career. This is a transcript of that lecture, which describes the evolution of a new approach to thermodynamics: volume-based thermodynamics (VBT) which is gaining in popularity and which is relatively simple to use. Reported also are a number of other simple relationships, capable of estimation of standard thermodynamic data, currently under development. Some of these are immensely powerful and they are described.
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