Murat Keceli, Ph.D.
Affiliations: | 2012 | Chemical Physics | University of Illinois, Urbana-Champaign, Urbana-Champaign, IL |
Area:
Theoretical and Computational ChemistryGoogle:
"Murat Keceli"Mean distance: 9.29 | S | N | B | C | P |
Parents
Sign in to add mentor| So Hirata | grad student | 2012 | UIUC | |
| (Vibrational many-body methods for molecules and extended systems.) | ||||
| Stephen J. Klippenstein | post-doc | Argonne National Laboratory (E-Tree) | ||
| William H. Green | post-doc | 2012-2014 | MIT | |
| Albert F. Wagner | post-doc | 2014-2018 | Argonne National Laboratory | |
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Publications
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| Elliott SN, Keçeli M, Ghosh MK, et al. (2023) High-Accuracy Heats of Formation for Alkane Oxidation: From Small to Large via the Automated CBH-ANL Method. The Journal of Physical Chemistry. A |
| Ruiz J, Misa K, Seshappan A, et al. (2021) Exploring the anharmonic vibrational structure of carbon dioxide trimers. The Journal of Chemical Physics. 154: 144302 |
| Yu VW, Campos C, Dawson W, et al. (2020) ELSI — An open infrastructure for electronic structure solvers Computer Physics Communications. 256: 107459 |
| Maystrovsky S, Keçeli M, Sode O. (2019) Understanding the anharmonic vibrational structure of the carbon dioxide dimer. The Journal of Chemical Physics. 150: 144302 |
| Fletcher GD, Bertoni C, Keçeli M, et al. (2019) Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond Method. Journal of Computational Chemistry |
| Keçeli M, Elliott SN, Li Y, et al. (2019) Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics Proceedings of the Combustion Institute. 37: 363-371 |
| Keçeli M, Corsetti F, Campos C, et al. (2018) SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package. Journal of Computational Chemistry. 39: 1806-1814 |
| Sarikurt S, Çakır D, Keçeli M, et al. (2018) The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers. Nanoscale |
| Fang Z, Both J, Li S, et al. (2016) Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory. Journal of Chemical Theory and Computation |
| Keçeli M, Zhang H, Zapol P, et al. (2015) Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding. Journal of Computational Chemistry |