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Rational design of layered oxide materials for sodium-ion batteries.
Zhao C, Wang Q, Yao Z, Wang J, Sánchez-Lengeling B, Ding F, Qi X, Lu Y, Bai X, Li B, Li H, Aspuru-Guzik A, Huang X, Delmas C, Wagemaker M, Chen L, Hu YS. Zhao C, et al. Science. 2020 Nov 6;370(6517):708-711. doi: 10.1126/science.aay9972. Science. 2020. PMID: 33154140
Learning More, with Less.
Sánchez-Lengeling B, Aspuru-Guzik A. Sánchez-Lengeling B, et al. ACS Cent Sci. 2017 Apr 26;3(4):275-277. doi: 10.1021/acscentsci.7b00153. Epub 2017 Apr 18. ACS Cent Sci. 2017. PMID: 28470043 Free PMC article. No abstract available.
Taking six-dimensional spectra in finite time.
Goodknight J, Aspuru-Guzik A. Goodknight J, et al. Science. 2017 Jun 30;356(6345):1333. doi: 10.1126/science.aan2842. Science. 2017. PMID: 28663456 No abstract available.
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
Gómez-Bombarelli R, Wei JN, Duvenaud D, Hernández-Lobato JM, Sánchez-Lengeling B, Sheberla D, Aguilera-Iparraguirre J, Hirzel TD, Adams RP, Aspuru-Guzik A. Gómez-Bombarelli R, et al. ACS Cent Sci. 2018 Feb 28;4(2):268-276. doi: 10.1021/acscentsci.7b00572. Epub 2018 Jan 12. ACS Cent Sci. 2018. PMID: 29532027 Free PMC article.
Reinforced Adversarial Neural Computer for de Novo Molecular Design.
Putin E, Asadulaev A, Ivanenkov Y, Aladinskiy V, Sanchez-Lengeling B, Aspuru-Guzik A, Zhavoronkov A. Putin E, et al. J Chem Inf Model. 2018 Jun 25;58(6):1194-1204. doi: 10.1021/acs.jcim.7b00690. Epub 2018 Jun 12. J Chem Inf Model. 2018. PMID: 29762023 Free article.
Quantum chemistry reveals thermodynamic principles of redox biochemistry.
Jinich A, Flamholz A, Ren H, Kim SJ, Sanchez-Lengeling B, Cotton CAR, Noor E, Aspuru-Guzik A, Bar-Even A. Jinich A, et al. PLoS Comput Biol. 2018 Oct 24;14(10):e1006471. doi: 10.1371/journal.pcbi.1006471. eCollection 2018 Oct. PLoS Comput Biol. 2018. PMID: 30356318 Free PMC article.
249 results