Roberto Olivares-Amaya, Ph.D. - Publications

2012 Chemical Physics Harvard University, Cambridge, MA, United States 
energy transfer in photosynthetic complexes, spectroscopy of molecules in nanoscale environments

18 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Olivares-Amaya R, Hu W, Nakatani N, Sharma S, Yang J, Chan GK. The ab-initio density matrix renormalization group in practice. The Journal of Chemical Physics. 142: 034102. PMID 25612684 DOI: 10.1063/1.4905329  1
2014 Jinich A, Rappoport D, Dunn I, Sanchez-Lengeling B, Olivares-Amaya R, Noor E, Even AB, Aspuru-Guzik A. Quantum chemical approach to estimating the thermodynamics of metabolic reactions. Scientific Reports. 4: 7022. PMID 25387603 DOI: 10.1038/Srep07022  1
2014 Hachmann J, Olivares-Amaya R, Jinich A, Appleton AL, Blood-Forsythe MA, Seress LR, Román-Salgado C, Trepte K, Atahan-Evrenk S, Er S, Shrestha S, Mondal R, Sokolov A, Bao Z, Aspuru-Guzik A. Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry-the Harvard Clean Energy Project Energy and Environmental Science. 7: 698-704. DOI: 10.1039/C3Ee42756K  1
2013 Amador-Bedolla C, Olivares-Amaya R, Hachmann J, Aspuru-Guzik A. Organic Photovoltaics Informatics For Materials Science and Engineering: Data-Driven Discovery For Accelerated Experimentation and Application. 423-442. DOI: 10.1016/B978-0-12-394399-6.00017-5  1
2013 Valencia D, Olivares-Amaya R, Aburto J, García-Cruz I. Topological and electronic structure of heterocyclic compounds adsorbed on hydrotreating catalysts Catalysis Letters. 143: 1354-1361. DOI: 10.1007/S10562-013-1090-7  1
2012 Watson MA, Rappoport D, Lee EM, Olivares-Amaya R, Aspuru-Guzik A. Electronic structure calculations in arbitrary electrostatic environments. The Journal of Chemical Physics. 136: 024101. PMID 22260558 DOI: 10.1063/1.3670417  1
2012 Olivares-Amaya R, Rappoport D, Munoz PA, Peng P, Mazur E, Aspuru-Guzik A. Can mixed-metal surfaces provide an additional enhancement to SERS? Journal of Physical Chemistry C. 116: 15568-15575. DOI: 10.1021/Jp302597V  1
2011 Tempel DG, Watson MA, Olivares-Amaya R, Aspuru-Guzik A. Time-dependent density functional theory of open quantum systems in the linear-response regime. The Journal of Chemical Physics. 134: 074116. PMID 21341837 DOI: 10.1063/1.3549816  1
2011 Olivares-Amaya R, Amador-Bedolla C, Hachmann J, Atahan-Evrenk S, Sánchez-Carrera RS, Vogt L, Aspuru-Guzik A. Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics Energy and Environmental Science. 4: 4849-4861. DOI: 10.1039/C1Ee02056K  1
2011 Hachmann J, Olivares-Amaya R, Atahan-Evrenk S, Amador-Bedolla C, Sánchez-Carrera RS, Gold-Parker A, Vogt L, Brockway AM, Aspuru-Guzik A. The harvard clean energy project: Large-scale computational screening and design of organic photovoltaics on the world community grid Journal of Physical Chemistry Letters. 2: 2241-2251. DOI: 10.1021/Jz200866S  1
2011 Olivares-Amaya R, Stopa M, Andrade X, Watson MA, Aspuru-Guzik A. Anion stabilization in electrostatic environments Journal of Physical Chemistry Letters. 2: 682-688. DOI: 10.1021/Jz200120W  1
2010 Olivares-Amaya R, Watson MA, Edgar RG, Vogt L, Shao Y, Aspuru-Guzik A. Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library. Journal of Chemical Theory and Computation. 6: 135-44. PMID 26614326 DOI: 10.1021/Ct900543Q  1
2010 Watson M, Olivares-Amaya R, Edgar RG, Aspuru-Guzik A. Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units Computing in Science and Engineering. 12: 40-51. DOI: 10.1109/Mcse.2010.29  1
2010 Hachmann J, Olivares-Amaya R, Vogt L, Atahan S, Sanchez-Carrera RS, Gold-Parker A, Lin E, Aspuru-Guzik A. First-principles screening and design of organic photovoltaic materials on the World Community Grid Acs National Meeting Book of Abstracts 1
2009 Saikin SK, Olivares-Amaya R, Rappoport D, Stopa M, Aspuru-Guzik A. On the chemical bonding effects in the Raman response: benzenethiol adsorbed on silver clusters. Physical Chemistry Chemical Physics : Pccp. 11: 9401-11. PMID 19830323 DOI: 10.1039/B906885F  1
2009 Olivares-Amaya R, Salomón-Ferrer R, Lester WA, Amador-Bedolla C. Creating a GUI for Zori, a quantum Monte Carlo program Computing in Science and Engineering. 11: 41-47. DOI: 10.1109/Mcse.2009.5  1
2009 Sánchez-Carrera RS, Vogt L, Olivares-Amaya R, Aspuru-Guzik A. Finding renewable energy materials one screensaver at a time Acs National Meeting Book of Abstracts 1
2008 Vogt L, Olivares-Amaya R, Kermes S, Shao Y, Amador-Bedolla C, Aspuru-Guzik A. Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units. The Journal of Physical Chemistry. A. 112: 2049-57. PMID 18229900 DOI: 10.1021/Jp0776762  1
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