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.
|Babaei, Hasan||Postdoctoral Fellowfirstname.lastname@example.org|
|Day, Brian||Graduate Studentemail@example.com|
|Gustafson, Jenna||Graduate Studentfirstname.lastname@example.org|
|Kaija, Alec||Graduate Studentemail@example.com|
|Saliba, Michelene||Undergraduate Student|
|Sezginel, Kutay||Graduate Studentfirstname.lastname@example.org|
- "Nanoscale forces and their uses in self‐assembly," Kyle JM Bishop, Christopher E Wilmer, Siowling Soh, Bartosz A Grzybowski, WILEY‐VCH Verlag (2009).
- "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 (2011).
- "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 (2012).
- "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 (2012).
- "Light-harvesting and ultrafast energy migration in porphyrin-based metal-organic frameworks," HJ Son, S Jin, S Patwardhan, SJ Wezenberg, NC Jeong, M So, CE Wilmer, AA Sarjeant, GC Schatz, RQ Snurr, OK Farha, GP Wiederrecht, and JT Hupp. Journal of the American Chemical Society 135.2 (2013)
- "Intelligent selection of metal-organic framework arrays for methane sensing via genetic algorithms," JA Gustafson and CE Wilmer. ACS Sensors (2019)
- "The role of molecular modeling & simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation," Arni Sturluson, Melanie T Huynh, Alec Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E Wilmer, Yamil J Colón, Yongchul G Chung, Daniel Siderius, Cory Simon, ChemRxiv (2019).
- "High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes," Samir Budhathoki, Olukayode Ajayi, Janice A Steckel, Christopher E Wilmer, Energy & Environmental Science (2019).
- "Networks For Organic Reactions And Compounds," Bartosz A Grzybowski, Kyle JM Bishop, Bartiomiej Kowatczyk, Christopher E Wilmer, (2018).
- "Optimizing information content in MOF sensor arrays for analyzing methane-air mixtures," Jenna A Gustafson, Christopher E Wilmer, Sensors and Actuators B: Chemical (2018).