murat keçeli
Cited by
Cited by
The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers
S Sarikurt, D Çakır, M Keçeli, C Sevik
Nanoscale 10 (18), 8859-8868, 2018
Optimized coordinates for anharmonic vibrational structure theories
K Yagi, M Keçeli, S Hirata
The Journal of Chemical Physics 137 (20), 2012
Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics
M Keçeli, SN Elliott, YP Li, MS Johnson, C Cavallotti, Y Georgievskii, ...
Proceedings of the Combustion Institute 37 (1), 363-371, 2019
Fermi resonance in solid CO2 under pressure
O Sode, M Keçeli, K Yagi, S Hirata
The Journal of Chemical Physics 138 (7), 2013
From NWChem to NWChemEx: Evolving with the computational chemistry landscape
K Kowalski, R Bair, NP Bauman, JS Boschen, EJ Bylaska, J Daily, ...
Chemical reviews 121 (8), 4962-4998, 2021
Size-extensive vibrational self-consistent field method
M Keçeli, S Hirata
The Journal of chemical physics 135 (13), 2011
Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO, CH3 +, and …
M Keceli, T Shiozaki, K Yagi, S Hirata
Molecular Physics 107 (8-12), 1283-1301, 2009
First-principles theories for anharmonic lattice vibrations
S Hirata, M Keçeli, K Yagi
The Journal of chemical physics 133 (3), 2010
Coupled‐cluster and many‐body perturbation study of energies, structures, and phonon dispersions of solid hydrogen fluoride
O Sode, M Keçeli, S Hirata, K Yagi
International Journal of Quantum Chemistry 109 (9), 1928-1939, 2009
ELSI—An open infrastructure for electronic structure solvers
VW Yu, C Campos, W Dawson, A García, V Havu, B Hourahine, WP Huhn, ...
Computer Physics Communications 256, 107459, 2020
Automated theoretical chemical kinetics: Predicting the kinetics for the initial stages of pyrolysis
SN Elliott, KB Moore III, AV Copan, M Keçeli, C Cavallotti, Y Georgievskii, ...
Proceedings of the Combustion Institute 38 (1), 375-384, 2021
Benchmark calculations of Energetic properties of Groups 4 and 6 transition metal oxide nanoclusters Including comparison to density functional theory
Z Fang, J Both, S Li, S Yue, E Apra, M Keceli, AF Wagner, DA Dixon
Journal of chemical theory and computation 12 (8), 3689-3710, 2016
RMG-Reaction mechanism generator
WH Green
http://rmg. sourceforge. net/, 2011
RMG-reaction mechanism generator v4. 0.1
WH Green, JW Allen, BA Buesser, RW Ashcraft, GJ Beran, CA Class, ...
RMG, Cambridge, MA, accessed Apr 9, 2018, 2013
Shift‐and‐invert parallel spectral transformation eigensolver: Massively parallel performance for density‐functional based tight‐binding
M Keçeli, H Zhang, P Zapol, DA Dixon, AF Wagner
Journal of computational chemistry 37 (4), 448-459, 2016
Extensivity of energy and electronic and vibrational structure methods for crystals
S Hirata, M Keçeli, Y Ohnishi, O Sode, K Yagi
Annual Review of Physical Chemistry 63, 131-153, 2012
Tkachenko modes and structural phase transitions of the vortex lattice of a two-component Bose-Einstein condensate
M Keçeli, MÖ Oktel
Physical Review A 73 (2), 023611, 2006
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
MR Hermes, M Keçeli, S Hirata
The Journal of Chemical Physics 136 (23), 2012
First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Γ approximation
M Keçeli, S Hirata, K Yagi
The Journal of chemical physics 133 (3), 2010
Scaling distributed training of flood-filling networks on hpc infrastructure for brain mapping
W Dong, M Keceli, R Vescovi, H Li, C Adams, E Jennings, S Flender, ...
2019 IEEE/ACM Third Workshop on Deep Learning on Supercomputers (DLS), 52-61, 2019
The system can't perform the operation now. Try again later.
Articles 1–20