World famous in Berkeley: EFRC on youtube

This video was made for the MRS meeting in San Francisco

Cover of PCCP 2


Our article on methane storage appeared on the cover of PCCP. More information can be found here.

Book: Carbon Capture and Sequestration


Our book on CCS is out! More details here 

An Inside Look at a MOF in Action


A unique inside look at the electronic structure of a highly touted metal-organic framework (MOF) as it is adsorbing carbon dioxide gas should help in the design of new and improved MOFs for carbon capture and storage …more see LBNL news 

Coverage of our recent JACS article: Probing Adsorption Interactions In Metal-Organic Frameworks Using X-ray Spectroscopy 

Viagra ads and NSA watch lists: smoke but usually no fire

Cory and I wrote a Guest Blog for Scientific American about big data. The blog can be found here and a pdf here

Fig. 1: Each circle represents a member of the population. The left box visualizes a population of 1.0% Viagra candidates. The right box is the population to which our algorithm displays a Viagra ad based on a 99% specificity and sensitivity.

Report in Science!

cover 02

In this article we determine the structure of MTV-MOFs. As these materials are disordered this turned out to be much more difficult than we initally hoped. More details can be found here 

Coverage of this work at LBNL news, R&D Magazine

The Berkeley Lectures on Energy


are coming, more details will appear here

Принципы компьютерного моделирования молекулярных систем. От алгоритмов к приложениям


The translation of our book Understanding molecular simulations in Russian appeared!. More info here

Cover of J Phys Chem C

We ended on the cover with our article "Mail-Order Metal–Organic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules"

June 13, 2013: Vol. 117, Iss. 23

Richard L. Martin, Li-Chiang Lin ‡, Kuldeep Jariwala §, Berend Smit ‡§, and Maciej Haranczyk

DOI: 10.1021/jp401920y

mar131 cover jpccck v117i023

Potential energy surface of methane in a hypothetical structural analogue of MOF-5. A database of hypothetical structural analogues of MOF-5, an archetypal metal–organic framework, was constructed by substituting the bridging ligand for various commercially available dicarboxylic acids. The database was characterized for geometric properties and methane adsorption performance. The material with the highest simulated gravimetric methane uptake at 35 bar is illustrated with its potential energy surface.

More details are here

Publication in Nature Communication


In this work we collaborate with Lawrence L ivermore National Laboratory (LLNL) to find new materials for natural gas separations. 

Here are some links to coverage of this work:

The Daily Callifornian can be found here 

The LLNL website here

NBC news site here

© Berend Smit 2013