| Tuning charge transport in solution-sheared organic semiconductors using lattice strain G Giri, E Verploegen, SCB Mannsfeld, S Atahan-Evrenk, DH Kim, SY Lee, ... Nature 480 (7378), 504-508, 2011 | 1174 | 2011 |
| The Harvard clean energy project: large-scale computational screening and design of organic photovoltaics on the world community grid J Hachmann, R Olivares-Amaya, S Atahan-Evrenk, C Amador-Bedolla, ... The Journal of Physical Chemistry Letters 2 (17), 2241-2251, 2011 | 734 | 2011 |
| From computational discovery to experimental characterization of a high hole mobility organic crystal AN Sokolov, S Atahan-Evrenk, R Mondal, HB Akkerman, ... Nature communications 2 (1), 437, 2011 | 393 | 2011 |
| Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry–the Harvard Clean Energy Project J Hachmann, R Olivares-Amaya, A Jinich, AL Appleton, ... Energy & Environmental Science 7 (2), 698-704, 2014 | 282 | 2014 |
| Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics R Olivares-Amaya, C Amador-Bedolla, J Hachmann, S Atahan-Evrenk, ... Energy & Environmental Science 4 (12), 4849-4861, 2011 | 216 | 2011 |
| Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics M Ceotto, S Atahan, GF Tantardini, A Aspuru-Guzik The Journal of chemical physics 130 (23), 2009 | 118 | 2009 |
| Effects of odd–even side chain length of alkyl-substituted diphenylbithiophenes on first monolayer thin film packing structure HB Akkerman, SCB Mannsfeld, AP Kaushik, E Verploegen, L Burnier, ... Journal of the American Chemical Society 135 (30), 11006-11014, 2013 | 109 | 2013 |
| Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Organic Semiconductor RS Sánchez-Carrera, S Atahan, J Schrier, A Aspuru-Guzik The Journal of Physical Chemistry C 114 (5), 2334-2340, 2010 | 99 | 2010 |
| First-principles semiclassical initial value representation molecular dynamics M Ceotto, S Atahan, S Shim, GF Tantardini, A Aspuru-Guzik Physical Chemistry Chemical Physics 11 (20), 3861-3867, 2009 | 99 | 2009 |
| H. Kim do, SY Lee, HA Becerril, A. Aspuru-Guzik, MF Toney and Z. Bao G Giri, E Verploegen, SC Mannsfeld, S Atahan-Evrenk Nature 480, 504, 2011 | 51 | 2011 |
| Prediction of intramolecular reorganization energy using machine learning S Atahan-Evrenk, FB Atalay The Journal of Physical Chemistry A 123 (36), 7855-7863, 2019 | 46 | 2019 |
| Prediction and calculation of crystal structures S Atahan-Evrenk, A Aspuru-Guzik Topics in current chemistry 345, 2014 | 43 | 2014 |
| Coherent Dynamics of Mixed Frenkel and Charge-Transfer Excitons in Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Thin Films: The Importance of Hole … T Fujita, S Atahan-Evrenk, NPD Sawaya, A Aspuru-Guzik The Journal of Physical Chemistry Letters 7 (7), 1374-1380, 2016 | 37 | 2016 |
| Prediction and Theoretical Characterization of p-Type Organic Semiconductor Crystals for Field-Effect Transistor Applications S Atahan-Evrenk, A Aspuru-Guzik Prediction and Calculation of Crystal Structures Methods and Applications …, 2014 | 32 | 2014 |
| An ab initio investigation of the O (3 P)–H 2 (1 Σ+ g) van der Waals well S Atahan, J Kłos, PS Żuchowski, MH Alexander Physical Chemistry Chemical Physics 8 (38), 4420-4426, 2006 | 23 | 2006 |
| Confined organization of fullerene units along high polymer chains L Fang, P Liu, BR Sveinbjornsson, S Atahan-Evrenk, K Vandewal, ... Journal of Materials Chemistry C 1 (36), 5747-5755, 2013 | 22 | 2013 |
| Coupled-States Statistical Investigation of Vibrational and Rotational Relaxation of OH(2Π) by Collisions with Atomic Hydrogen S Atahan, MH Alexander The Journal of Physical Chemistry A 110 (16), 5436-5445, 2006 | 21 | 2006 |
| Cross sections and thermal rate constants for the isotope exchange reaction: D (S2)+ OH (Π2)→ OD (Π2)+ H (S2) S Atahan, MH Alexander, EJ Rackham The Journal of chemical physics 123 (20), 2005 | 17 | 2005 |
| A quantitative structure–property study of reorganization energy for known p-type organic semiconductors S Atahan-Evrenk RSC advances 8 (70), 40330-40337, 2018 | 16 | 2018 |
| Laser spectroscopic study of the SiAr van der Waals complex C Tao, A Teslja, PJ Dagdigian, S Atahan, MH Alexander The Journal of chemical physics 116 (21), 9239-9248, 2002 | 13 | 2002 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca
