Steven A. Lopez, Ph.D.

2017- Chemistry and Chemical Biology Northeastern University, Boston, MA, United States 
computational materials discovery, organic photochemistry, machine learning
"Steven Lopez"
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Kendall N. Houk grad student 2010-2015 UCLA
Alán Aspuru-Guzik post-doc 2015-2017 Harvard
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Li J, Reiser P, Boswell BR, et al. (2021) Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations. Chemical Science. 12: 5302-5314
Li J, Lopez SA. (2020) Multiconfigurational Calculations and Non-Adiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity. The Journal of Physical Chemistry. A
Pengshung M, Li J, Mukadum F, et al. (2020) Photophysical Tuning of Shortwave Infrared Flavylium Heptamethine Dyes via Substituent Placement. Organic Letters. 22: 6150-6154
Cox JM, Lopez SA. (2020) Multiconfigurational dynamics explain photochemical reactivity and torquoselectivity towards fluorinated polyacetylenes Journal of Materials Chemistry C. 8: 10880-10888
Cox JM, Mileson B, Sadagopan A, et al. (2020) Molecular Recognition and Band Alignment in 3D Covalent Organic Frameworks for Cocrystalline Organic Photovoltaics The Journal of Physical Chemistry C. 124: 9126-9133
Abreha BG, Agarwal S, Foster I, et al. (2019) Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules. The Journal of Physical Chemistry Letters. 6835-6841
Williams TL, Lopez SA, Deravi LF. (2019) A Sustainable Route To Synthesize the Xanthommatin Biochrome via an Electro-catalyzed Oxidation of Tryptophan Metabolites Acs Sustainable Chemistry & Engineering. 7: 8979-8985
Ly JT, Lopez SA, Lin JB, et al. (2018) Oxidation of rubrene, and implications for device stability Journal of Materials Chemistry C. 6: 3757-3761
Lin JB, Jin Y, Lopez SA, et al. (2017) Torsional Barriers to Rotation and Planarization in Heterocyclic Oligomers of Value in Organic Electronics. Journal of Chemical Theory and Computation
Fell JS, Lopez SA, Higginson CJ, et al. (2017) Theoretical Analysis of the Retro-Diels-Alder Reactivity of Oxanorbornadiene Thiol and Amine Adducts. Organic Letters
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