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Raymond Atta-Fynn, Ph.D. - Publications

Affiliations: 
2005 Ohio University, Athens, OH, United States 
Area:
Condensed Matter Physics
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41 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
2020 Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997  0.346
2020 Limbu DK, Elliott SR, Atta-Fynn R, Biswas P. Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals. Scientific Reports. 10: 7742. PMID 32385360 DOI: 10.1038/S41598-020-64327-3  0.717
2019 Biswas P, Paudel D, Atta-Fynn R, Elliott SR. Temperature-induced nanostructural evolution of hydrogen-rich voids in amorphous silicon: a first-principles study. Nanoscale. PMID 31750495 DOI: 10.1039/C9Nr08209C  0.717
2019 Limbu DK, Atta-Fynn R, Biswas P. Atomistic simulation of nearly defect-free models of amorphous silicon: An information-based approach Mrs Advances. 4: 87-93. DOI: 10.1557/Adv.2019.76  0.716
2019 Limbu DK, Madueke MU, Atta-Fynn R, Drabold DA, Biswas P. Ab initio density-functional studies of 13-atom Cu and Ag clusters Journal of Physics: Conference Series. 1252: 012009. DOI: 10.1088/1742-6596/1252/1/012009  0.713
2019 Paudel D, Atta-Fynn R, Drabold DA, Biswas P. Effect of low-temperature annealing on void-related microstructure in amorphous silicon: A computational study Journal of Physics: Conference Series. 1252: 012005. DOI: 10.1088/1742-6596/1252/1/012005  0.686
2019 Dahal D, Atta-Fynn R, Elliott SR, Biswas P. Hyperuniformity and static structure factor of amorphous silicon in the infinite-wavelength limit Journal of Physics: Conference Series. 1252: 012003. DOI: 10.1088/1742-6596/1252/1/012003  0.623
2019 Atta-Fynn R, Drabold DA, Biswas P. First principles modeling of the structural, electronic, and vibrational properties of Ni40Pd40P20 bulk metallic glass Journal of Non-Crystalline Solids: X. 1: 100004. DOI: 10.1016/J.NOCX.2018.100004  0.697
2018 Bhattarai B, Biswas P, Atta-Fynn R, Drabold DA. Amorphous graphene: a constituent part of low density amorphous carbon. Physical Chemistry Chemical Physics : Pccp. PMID 29999055 DOI: 10.1039/C8Cp02545B  0.744
2018 Atta-Fynn R, Biswas P. Nearly defect-free dynamical models of disordered solids: The case of amorphous silicon. The Journal of Chemical Physics. 148: 204503. PMID 29865802 DOI: 10.1063/1.5021813  0.716
2018 Limbu DK, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Information-driven inverse approach to disordered solids: Applications to amorphous silicon Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.115602  0.708
2018 Paudel D, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Small-angle x-ray scattering in amorphous silicon: A computational study Physical Review B. 97. DOI: 10.1103/Physrevb.97.184202  0.708
2017 Limbu DK, Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study Physical Review B. 96. DOI: 10.1103/Physrevb.96.174208  0.691
2017 Atta-Fynn R, Drabold DA, Elliott SR, Biswas P. First-principles simulations of vibrational decay and lifetimes ina-Si:H anda-Si:D Physical Review B. 95. DOI: 10.1103/Physrevb.95.104205  0.708
2017 Biswas P, Paudel D, Atta-Fynn R, Drabold DA, Elliott SR. Morphology and Number Density of Voids in Hydrogenated Amorphous Silicon: AnAb InitioStudy Physical Review Applied. 7. DOI: 10.1103/Physrevapplied.7.024013  0.724
2016 Biswas P, Atta-Fynn R, Elliott SR. Metadynamical approach to the generation of amorphous structures: The case of a-Si:H Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.184202  0.72
2016 Moten SA, Atta-Fynn R, Ray AK, Huda MN. Size effects on the electronic and magnetic properties of PuO2 (111) surface Journal of Nuclear Materials. 468: 37-45. DOI: 10.1016/J.Jnucmat.2015.11.009  0.313
2015 Atta-Fynn R, Ray AK. Density functional theory studies of condensed phases of 6d super heavy elements Solid State Communications. 201: 88-94. DOI: 10.1016/J.Ssc.2014.10.025  0.31
2014 Biswas P, Drabold DA, Atta-Fynn R. Microstructure from joint analysis of experimental data and ab initio interactions: Hydrogenated amorphous silicon Journal of Applied Physics. 116. DOI: 10.1063/1.4905024  0.733
2013 Atta-Fynn R, Bylaska EJ, De Jong WA. Importance of counteranions on the hydration structure of the curium ion Journal of Physical Chemistry Letters. 4: 2166-2170. DOI: 10.1021/Jz400887A  0.369
2013 Atta-Fynn R, Ray AK. Bulk and (1120) surface properties of β-Pu2O3: A theoretical study using DFT with exact exchange for correlated electrons Chemical Physics Letters. 583: 42-48. DOI: 10.1016/J.Cplett.2013.07.059  0.352
2012 Ma L, Atta-Fynn R, Ray AK. Elemental and mixed actinide dioxides: An ab initio study Journal of Theoretical and Computational Chemistry. 11: 611-629. DOI: 10.1142/S021963361250040X  0.334
2011 Atta-Fynn R, Bylaska EJ, Schenter GK, de Jong WA. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies. The Journal of Physical Chemistry. A. 115: 4665-77. PMID 21500828 DOI: 10.1021/Jp201043F  0.36
2010 Atta-Fynn R, Ray AK. A hybrid DFT description of the (0001) surface of americium-I European Physical Journal B. 78: 13-22. DOI: 10.1140/Epjb/E2010-10299-1  0.315
2009 Atta-Fynn R, Biswas P. Atomistic modeling of amorphous silicon carbide: an approximate first-principles study in constrained solution space. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 265801. PMID 21828477 DOI: 10.1088/0953-8984/21/26/265801  0.735
2009 Atta-Fynn R, Ray AK. Does hybrid density functional theory predict a non-magnetic ground state for δ-Pu? Epl. 85. DOI: 10.1209/0295-5075/85/27008  0.34
2009 Atta-Fynn R, Ray AK. A first principles study of the adsorption and dissociation of CO 2 on the δ-Pu (111) surface European Physical Journal B. 70: 171-184. DOI: 10.1140/Epjb/E2009-00217-1  0.312
2009 Atta-Fynn R, Ray AK. Probing the 5f electrons in Am-I by hybrid density functional theory Chemical Physics Letters. 482: 223-227. DOI: 10.1016/J.Cplett.2009.09.099  0.34
2008 Dholabhai PP, Atta-Fynn R, Ray AK. A density functional study of atomic hydrogen and oxygen chemisorption on the relaxed (0001) surface of double hexagonal close packed americium European Physical Journal B. 61: 261-270. DOI: 10.1140/Epjb/E2008-00071-7  0.363
2008 Dholabhai PP, Atta-Fynn R, Ray AK. An ab initio study of the adsorption and dissociation of molecular oxygen on the (0 0 0 1) surface of double hexagonal close-packed americium Physica B: Condensed Matter. 403: 4269-4280. DOI: 10.1016/J.Physb.2008.09.032  0.325
2007 Biswas P, Atta-Fynn R, Drabold DA. Experimentally constrained molecular relaxation: The case of hydrogenated amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.125210  0.749
2007 Atta-Fynn R, Ray AK. Density functional study of the actinide nitrides Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.115101  0.386
2007 Atta-Fynn R, Ray AK. Ab initio full-potential fully relativistic study of atomic carbon, nitrogen, and oxygen chemisorption on the (111) surface of δ-Pu Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.195112  0.329
2007 Biswas P, Atta-Fynn R, Chakraborty S, Drabold DA. Real space information from fluctuation electron microscopy: Applications to amorphous silicon Journal of Physics Condensed Matter. 19. DOI: 10.1088/0953-8984/19/45/455202  0.728
2007 Atta-Fynn R, Ray AK. Relaxation of the (1 1 1) surface of δ-Pu and effects on atomic adsorption: An ab initio study Physica B: Condensed Matter. 400: 307-316. DOI: 10.1016/J.Physb.2007.08.041  0.308
2007 Atta-Fynn R, Ray AK. A full-potential linearized augmented plane wave (FP-LAPW) study of atomic carbon, nitrogen, and oxygen chemisorption on the (1 0 0) surface of δ-Pu Physica B: Condensed Matter. 392: 112-126. DOI: 10.1016/J.Physb.2006.11.017  0.333
2004 Atta-Fynn R, Biswas P, Drabold DA. Electron-phonon coupling is large for localized states Physical Review B - Condensed Matter and Materials Physics. 69: 245204-1-245204-5. DOI: 10.1103/Physrevb.69.245204  0.731
2004 Biswas P, Atta-Fynn R, Drabold DA. Reverse Monte Carlo modeling of amorphous silicon Physical Review B - Condensed Matter and Materials Physics. 69: 195207-1-195207-5. DOI: 10.1103/Physrevb.69.195207  0.757
2004 Atta-Fynn R, Biswas P, Ordejón P, Drabold DA. Systematic study of electron localization in an amorphous semiconductor Physical Review B - Condensed Matter and Materials Physics. 69: 852071-8520710. DOI: 10.1103/Physrevb.69.085207  0.734
2004 Biswas P, De Tafen N, Atta-Fynn R, Drabold D. The inclusion of experimental information in first principles modelling of materials Journal of Physics Condensed Matter. 16. DOI: 10.1088/0953-8984/16/44/014  0.74
2004 Biswas P, Atta-Fynn R, Drabold DA. Constrained Monte Carlo approach to modeling disordered materials Microscopy and Microanalysis. 10: 804-805. DOI: 10.1017/S1431927604884460  0.703
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