Year |
Citation |
Score |
2021 |
Li Z, Bucior BJ, Chen H, Haranczyk M, Siepmann JI, Snurr RQ. Machine learning using host/guest energy histograms to predict adsorption in metal-organic frameworks: Application to short alkanes and Xe/Kr mixtures. The Journal of Chemical Physics. 155: 014701. PMID 34241399 DOI: 10.1063/5.0050823 |
0.643 |
|
2021 |
Yao Z, Sánchez-Lengeling B, Bobbitt NS, Bucior BJ, Kumar SGH, Collins SP, Burns T, Woo TK, Farha OK, Snurr RQ, Aspuru-Guzik A. Inverse design of nanoporous crystalline reticular materials with deep generative models Nature Machine Intelligence. 3: 76-86. DOI: 10.1038/s42256-020-00271-1 |
0.418 |
|
2020 |
Yancy-Caballero D, Leperi KT, Bucior BJ, Richardson RK, Islamoglu T, Farha OK, You F, Snurr RQ. Process-level modelling and optimization to evaluate metal–organic frameworks for post-combustion capture of CO2 Molecular Systems Design & Engineering. 5: 1205-1218. DOI: 10.1039/d0me00060d |
0.577 |
|
2019 |
Gopalan A, Bucior BJ, Bobbitt NS, Snurr RQ. Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites Molecular Physics. 117: 3683-3694. DOI: 10.1080/00268976.2019.1658910 |
0.561 |
|
2019 |
Müller P, Bucior B, Tuci G, Luconi L, Getzschmann J, Kaskel S, Snurr RQ, Giambastiani G, Rossin A. Computational screening, synthesis and testing of metal–organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates Molecular Systems Design & Engineering. 4: 1000-1013. DOI: 10.1039/C9ME00062C |
0.526 |
|
2019 |
Bucior BJ, Bobbitt NS, Islamoglu T, Goswami S, Gopalan A, Yildirim T, Farha OK, Bagheri N, Snurr RQ. Energy-based descriptors to rapidly predict hydrogen storage in metal–organic frameworks Molecular Systems Design & Engineering. 4: 162-174. DOI: 10.1039/C8ME00050F |
0.489 |
|
2019 |
Chung YG, Haldoupis E, Bucior BJ, Haranczyk M, Lee S, Zhang H, Vogiatzis KD, Milisavljevic M, Ling S, Camp JS, Slater B, Siepmann JI, Sholl DS, Snurr RQ. Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019 Journal of Chemical & Engineering Data. 64: 5985-5998. DOI: 10.1021/Acs.Jced.9B00835 |
0.602 |
|
2019 |
Bucior BJ, Rosen AS, Haranczyk M, Yao Z, Ziebel ME, Farha OK, Hupp JT, Siepmann JI, Aspuru-Guzik A, Snurr RQ. Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis Crystal Growth & Design. 19: 6682-6697. DOI: 10.1021/Acs.Cgd.9B01050 |
0.636 |
|
2012 |
Bucior BJ, Chen D, Liu J, Johnson JK. Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 Mixtures Journal of Physical Chemistry C. 116: 25904-25910. DOI: 10.1021/Jp3098022 |
0.311 |
|
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