Sule Atahan-Evrenk
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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
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
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
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
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
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
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
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
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
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
Prediction of intramolecular reorganization energy using machine learning
S Atahan-Evrenk, FB Atalay
The Journal of Physical Chemistry A 123 (36), 7855-7863, 2019
Prediction and calculation of crystal structures
S Atahan-Evrenk, A Aspuru-Guzik
Topics in current chemistry 345, 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
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
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
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
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
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
A quantitative structure–property study of reorganization energy for known p-type organic semiconductors
S Atahan-Evrenk
RSC advances 8 (70), 40330-40337, 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
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