BeckGroup Theoretical Chemistry: Research
Research Areas

We work in the areas of theoretical and computational chemistry. We use the methods of classical and quantum mechanics, and statistical physics, to study ion solvation problems and interfaces.


Our research concerns the fundamental aspects of water, ionic solutions, specific ion effects, biophysics, and ions in organic solvents for energy storage applications. We are also interested in phase behavior in solvent mixtures and the application of Bayesian statistical approaches to modeling the thermodynamics of complex systems.


One vexing problem in ionic solutions is the ion specific nature of the lifetime of the bubbles shown near the rocks in the picture above. A broad overview of specific ion effects and self assembly is given in the book "Molecular Forces and Self Assembly in Colloid, Nano Sciences and Biology," by Ninham and Lo Nostro. Also, a forthcoming book "Aqua Incognita: Galileo 400 Years On", edited by Barry Ninham and Pierandrea Lo Nostro, presents recent work on water and aqueous solutions. The conference was held in July 2013 in Florence, Italy.


For a listing of our papers see the Vita link at the top of the page. For our book on the statistical mechanics of molecular liquids, recent talks on ion solvation, and some notes on solvation electrostatics and coding, see below. The coding links are for UC students only.


1. TLB coauthored a book with Mike Paulaitis and Lawrence Pratt titled "The Potential Distribution Theorem and Models of Molecular Solutions," Cambridge, 2006. Amazon

2. A recent talk on ion solvation IonSolvTalk

3. Some notes on ion solvation electrostatics IonSolvNotes

4. A recent talk on proton hydration ProtonHydTalk

5. A recent talk on ion solvation in EC/PC IonSolvECPC

6. Link to UCLIB book on phase equilibria: Phase

7. Link to python tutorial-1: PythonTutorial-1

8. Link to python tutorial-2: PythonTutorial-2