| Year |
Citation |
Score |
| 2021 |
Pyzer-Knapp EO, Chen L, Day GM, Cooper AI. Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps. Science Advances. 7. PMID 34389543 DOI: 10.1126/sciadv.abi4763 |
0.648 |
|
| 2020 |
Fare C, Turcani L, Pyzer-Knapp EO. Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks. Physical Chemistry Chemical Physics : Pccp. 22: 13041-13048. PMID 32478374 DOI: 10.1039/d0cp02319a |
0.668 |
|
| 2016 |
Häse F, Valleau S, Pyzer-Knapp E, Aspuru-Guzik A. Machine learning exciton dynamics. Chemical Science. 7: 5139-5147. PMID 30155164 DOI: 10.1039/C5Sc04786B |
0.689 |
|
| 2016 |
Lopez SA, Pyzer-Knapp EO, Simm GN, Lutzow T, Li K, Seress LR, Hachmann J, Aspuru-Guzik A. The Harvard organic photovoltaic dataset. Scientific Data. 3: 160086. PMID 27676312 DOI: 10.1038/Sdata.2016.86 |
0.685 |
|
| 2016 |
Pyzer-Knapp EO, Thompson HP, Day GM. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 72: 477-87. PMID 27484370 DOI: 10.1107/S2052520616007708 |
0.648 |
|
| 2015 |
Pyzer-Knapp EO, Suh C, Gómez-Bombarelli R, Aguilera-Iparraguirre J, Aspuru-Guzik A. What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery Annual Review of Materials Research. 45: 195-216. DOI: 10.1146/Annurev-Matsci-070214-020823 |
0.633 |
|
| 2015 |
Pyzer-Knapp EO, Li K, Aspuru-Guzik A. Learning from the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery Advanced Functional Materials. 25: 6495-6502. DOI: 10.1002/adfm.201501919 |
0.437 |
|
| 2014 |
Hasell T, Culshaw JL, Chong SY, Schmidtmann M, Little MA, Jelfs KE, Pyzer-Knapp EO, Shepherd H, Adams DJ, Day GM, Cooper AI. Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. Journal of the American Chemical Society. 136: 1438-48. PMID 24410310 DOI: 10.1021/Ja409594S |
0.672 |
|
| 2014 |
Pyzer-Knapp EO, Thompson HPG, Schiffmann F, Jelfs KE, Chong SY, Little MA, Cooper AI, Day GM. Predicted crystal energy landscapes of porous organic cages Chemical Science. 5: 2235-2245. DOI: 10.1039/C4Sc00095A |
0.686 |
|
| 2013 |
Jelfs KE, Eden EG, Culshaw JL, Shakespeare S, Pyzer-Knapp EO, Thompson HP, Bacsa J, Day GM, Adams DJ, Cooper AI. In silico design of supramolecules from their precursors: odd-even effects in cage-forming reactions. Journal of the American Chemical Society. 135: 9307-10. PMID 23745577 DOI: 10.1021/Ja404253J |
0.642 |
|
| 2012 |
Day GM, Pyzer-Knapp EO, Cooper TG, Jelfs KE, Cooper AI. Towards the computation-led design of porous molecular crystals Acta Crystallographica Section a Foundations of Crystallography. 68: s108-s108. DOI: 10.1107/S0108767312097917 |
0.644 |
|
| 2011 |
Day GM, Pyzer-Knapp EO, Jelfs KE, Cooper AI. Crystal energy landscapes of intrinsically porous molecules Acta Crystallographica Section a Foundations of Crystallography. 67: C251-C252. DOI: 10.1107/S0108767311093718 |
0.653 |
|
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