New paper on diffusion in MOFs

A new paper by Emmanuel and Taku on the quantifying the effects of framework flexibility on molecular diffusion in small pore MOFs is now available:

Quantifying Large Effects of Framework Flexibility on Diffusion in MOFs: CH4 and CO2 in ZIF-8

CHEMPHYSCHEM  Volume: 13   Issue: 15   Pages: 3449-3452

10.1002/cphc.201200529

Congratulations to Emmanuel and Taku on their nice work.

Welcome to Melissa, Erhan, and Ken

We are pleased to welcome Dr. Melissa Lucero, a new postdoc, to our group. Melissa has most recently been in Prof. Gus Scuseria's group at Rice University.

We also offer a slightly belated welcome to two new PhD students, Erhan Atci and Ken Onubogu. Erhan will be working on theoretical modeling of porous materials. Ken, who will be jointly advised by Prof. Krista Walton, will work on experimental studies of MOFs.

It is terrific to have Melissa, Erhan, and Ken join us.

Talks by our group at the AIChE Annual Meeting

Next week the AIChE Annual meeting takes place in Pittsburgh, PA. Quite a few current and former people from our group, including Kelly Nicholson, Sung Gu Kang, Ambarish Kulkarni, Tom Manz, and Hanjun Fang, will be giving talks. Several of our experimental collaborators, including Sangil Han and Fateme Rezaei, are also giving talks. The full program for the meeting is available here:
https://aiche.confex.com/aiche/2012/webprogram/start.html

New paper in Phys Rev B

A new paper by Kelly Nicholson from our group has just appeared in Phys. Rev. B:

"Computationally efficient determination of hydrogen isotope effects on the thermodynamic stability of metal hydrides"
URL: http://link.aps.org/doi/10.1103/PhysRevB.86.134113
DOI: 10.1103/PhysRevB.86.134113

Congratulations Kelly on your nice work. 

Two collaborative postdoc positions available

Our close collaborator Prof. Sankar Nair has two open postdoctoral positions that will involve experimental work on projects where theoretical work is being done in our group. Information about these positions is available here: http://nair.chbe.gatech.edu/DownloadDocs/GeorgiaTech_PostdoctoralPositions_Oct2012.pdf
Questions or applications for these positions should be directed to Prof. Nair.

Welcome to Dalar and Ross

We are very pleased to welcome two new PhD students to our group. Dalar Nazarian and Ross Verploegh are both currently first year students in Chemical & Biomolecular Engineering. We look forward to getting to know them and working with them over the next several years.

Talk on capturing CO2 from air in London

Next week, David will be one of the invited speakers at a 1-day symposium on capture of carbon dioxide from air in London. More information is available here:

AIR CAPTURE: DEVELOPING TECHNOLOGIES FOR CARBON RECYCLING AND NEGATIVE EMISSIONS

16 October 2012, London

www.imeche.org/events/S1706