Congratulations to Dr. Xiaowa Nie on Associate Professor position at the Dalian University of Technology in Dalian China

Dr. Xiaowa Nie has accepted a position as an Associate Professor in the Department of Catalysis Chemistry and Engineering within the School of Chemical Engineering at the Dalian University of Technology in Dalian China.

Congratulations to Xuerong Shi

Congratulations to Xuerong Shi (a former postdoc in our group), whose paper stemming from a collaboration with the Sykes group at Tufts on the adsorption of thioethers on metal surfaces has been accepted for publication in the Journal of Chemical Physics.

"Density Functional Theory: A Practical Introduction" released in a Japanese translation

David Sholl's book, "Density Functional Theory: A Practical Introduction" has recently been released in a Japanese translation. A Turkish edition of the book was published in 2014.

2014 Fall PhD Graduates

Congratulations to Ambarish Kulkarni, Kelly Nicholson, and Daniel Wei, who all received their PhDs at the Fall 2014 Georgia Tech Commencement. Well done Doctors!!

Congratulations to Ross and Krishna

Congratulations to Ross Verploegh and Krishna Chandran Jayachandrababu, who have both successfully passed their PhD proposals.

New Publications - Aug 2014

Congratulation to Dieh and Hakan for their new publications. You may find their latest works in,

Adsorption and diffusion of Rh and Au dimers and trimers on graphene/Ru(0001)
Dieh Teng and David S. Sholl
Surface Science, 2014, 626,  pp 6–13

Molecular dynamics simulation of framework flexibility effects on noble gas diffusion in HKUST-1 and ZIF-8
Marie V. Parkes, Hakan Demir, Stephanie L. Teich-McGoldrick, David S. Sholl, Jeffery A. Greathouse, and Mark D. Allendorf
Microporous and Mesoporous Materials, 2014, 194, pp 190–199

What We Are Reading

July 28th, 
Methane Storage in Metal-Substituted Metal−Organic Frameworks: Thermodynamics, Usable Capacity, and the Impact of Enhanced Binding Sites
Malay Kumar Rana, Hyun Seung Koh, Haroon Zuberi, and Donald J. Siegel

JPC C, 2014, 118 , pp 2929-2942

July 29th, 
Calculations of complex surface structures based on the example of (4 × 2) InAs (001)
D. Toton and J.J. Kolodziej

Surf Sci, 2014, 623 , pp 41-46