Our group designs hypothetical materials to help address energy and environmental challenges. We are interested in creating sophisticated nanostructures; potentially as complex (and useful) as molecular machines found in Nature. Our strategy is to computationally design and study new materials and then work work with our experimental collaborators to synthesize those materials in the lab. We are active software developers, and we build new computational tools to address problems nobody has tackled before.
"Nanoscale forces and their uses in self‐assembly." Kyle JM Bishop, Christopher E Wilmer, Siowling Soh, Bartosz A Grzybowski. small.
"Metal–organic framework materials with ultrahigh surface areas: is the sky the limit?." Omar K Farha, Ibrahim Eryazici, Nak Cheon Jeong, Brad G Hauser, Christopher E Wilmer, Amy A Sarjeant, Randall Q Snurr, SonBinh T Nguyen, A Özgür Yazaydın, Joseph T Hupp. Journal of the American Chemical Society.
"Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal–organic frameworks." Rachel B Getman, Youn-Sang Bae, Christopher E Wilmer, Randall Q Snurr. Chemical reviews.
"Large-scale screening of hypothetical metal–organic frameworks." Christopher E Wilmer, Michael Leaf, Chang Yeon Lee, Omar K Farha, Brad G Hauser, Joseph T Hupp, Randall Q Snurr. Nature Chemistry.
"Light-harvesting and ultrafast energy migration in porphyrin-based metal–organic frameworks." Ho-Jin Son, Shengye Jin, Sameer Patwardhan, Sander J Wezenberg, Nak Cheon Jeong, Monica So, Christopher E Wilmer, Amy A Sarjeant, George C Schatz, Randall Q Snurr, Omar K Farha, Gary P Wiederrecht, Joseph T Hupp. Journal of the American Chemical Society.
"The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation." Arni Sturluson, Melanie T Huynh, Alec R Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E Wilmer, Yamil J Colón, Yongchul G Chung, Daniel W Siderius, Cory M Simon. Molecular Simulation.
"Heat flux for many-body interactions: Corrections to LAMMPS." Paul Boone, Hasan Babaei, Christopher E Wilmer. Journal of chemical theory and computation.
"Intelligent selection of metal-organic framework arrays for methane sensing via genetic algorithms." Jenna Ann Gustafson, Christopher E Wilmer. ACS sensors.
"Designing a SAW Sensor Array with MOF Sensing Layers for Carbon Dioxide and Methane." Jagannath Devkota, Paul R Ohodnicki, Jenna A Gustafson, Christopher E Wilmer, David W Greve. 2019 Joint Conference of the IEEE International Frequency Control Symposium and European Frequency and Time Forum (EFTF/IFC).
"High-throughput calculations of metal organic frameworks: Mixed matrix membranes for carbon capture." Jan Steckel, Samir Budhathoki, Paul Boone, Christopher Wilmer. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.