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M

Murat Keçeli

Argonne National Laboratory

18H指数
68论文数
1.1K被引数
收录论文 25
发表时间
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From Atomistic Models to Machine Learning: Predictive Design of Nanocarbons under Extreme Conditions从原子模型到机器学习：极端条件下纳米碳的预测性设计
errCarbon
IF11.6
err2026-02-26
err0
PREAI
errXiaoli Yan; Millicent A. Firestone; Murat Keçeli; Santanu Chaudhuri; Eliu Huerta
err分享
err收藏
ChemGraph as an agentic framework for computational chemistry workflowsChemGraph 作为计算化学工作流的代理框架
errCommunications Chemistry
IF6.2
err2026-01-08
err0
errOAAI
errThang D. Pham; Aditya Tanikanti; Murat Keçeli
err分享
err收藏
Systematically derived thermodynamic properties for alkane oxidation
errCOMBUSTION AND FLAME
IF6.2
err2023-11-01
err13
PREAI
errElliott, Sarah N.; Moore, Kevin B., III; Copan, Andreas V.; Georgievskii, Yuri; Keceli, Murat; Somers, Kieran P.; Ghosh, Manik K.; Curran, Henry J.; Klippenstein, Stephen J.
err分享
err收藏
PluginPlay: Enabling exascale scientific software one module at a time
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-12
err5
errOAAI
errRichard, Ryan M. M.; Keipert, Kristopher; Waldrop, Jonathan; Keceli, Murat; Williams-Young, David; Bair, Raymond; Boschen, Jeffery; Crandall, Zachery; Gasperich, Kevin; Mahmud, Quazi Ishtiaque; Panyala, Ajay; Valeev, Edward; van Dam, Hubertus; de Jong, Wibe A. A.; Windus, Theresa L. L.
err分享
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Gaussian approximation potentials for accurate thermal properties of two-dimensional materials
errNANOSCALE
IF5.1
err2023-01-01
err6
errOAAI
errKocabas, Tugbey; Keceli, Murat; Vazquez-Mayagoitia, Alvaro; Sevik, Cem
err分享
err收藏
Prediction of correlation energies using variational subspace valence bond
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-09-23
err1
errOAAI
errFletcher, Graham D. D.; Bertoni, Colleen; Keceli, Murat; D'Mello, Michael J. J.
err分享
err收藏
Computation of the Thermal Expansion Coefficient of Graphene with Gaussian Approximation Potentials
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-06-24
err8
errOAAI
errDemiroglu, Ilker; Karaaslan, Yenal; Kocabas, Tugbey; Keceli, Murat; Vazquez-Mayagoitia, Alvaro; Sevik, Cem
err分享
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Exploring the anharmonic vibrational structure of carbon dioxide trimers
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-08
err3
errOAAI
errRuiz, Jesus; Misa, Kyle; Seshappan, Arabi; Keceli, Murat; Sode, Olaseni
err分享
err收藏
ELSI - An open infrastructure for electronic structure solversELSI-电子结构求解器的开放式基础设施
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2020-11-01
err28
errOAAI
errYu, Victor Wen-zhe; Campos, Carmen; Dawson, William; Garcia, Alberto; Havu, Ville; Hourahine, Ben; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Keceli, Murat; Laasner, Raul; Li, Yingzhou; Lin, Lin; Lu, Jianfeng; Moussa, Jonathan; Roman, Jose E.; Vazquez-Mayagoitia, Alvaro; Yang, Chao; Blum, Volker
err分享
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Understanding the anharmonic vibrational structure of the carbon dioxide dimer
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-08
err6
errOAAI
errMaystrovsky, Samuel; Keceli, Murat; Sode, Olaseni
err分享
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Valence: A Massively Parallel Implementation of the Variational Subspace Valence Bond Method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2019-03-28
err2
errOAAI
errFletcher, Graham D.; Bertoni, Colleen; Keceli, Murat; D'Mello, Michael
err分享
err收藏
SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics packageSIESTA-SIPs: 用于从头算分子动力学软件包的大规模并行光谱切片特征求解器
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-08-24
err8
PREAI
errKeceli, Murat; Corsetti, Fabiano; Campos, Carmen; Roman, Jose E.; Zhang, Hong; Vazquez-Mayagoitia, Alvaro; Zapol, Peter; Wagner, Albert F.
err分享
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The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers
errNANOSCALE
IF5.1
err2018-01-01
err128
PREAI
errSarikurt, Sevil; Cakir, Deniz; Keceli, Murat; Sevik, Cem
err分享
err收藏
Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-07-20
err41
PREAI
errFang, Zongtang; Both, Johan; Li, Shenggang; Yue, Shuwen; Apra, Edoardo; Keceli, Murat; Wagner, Albert F.; Dixon, David A.
err分享
err收藏
Shift-and-Invert Parallel Spectral Transformation Eigensolver: Massively Parallel Performance for Density-Functional Based Tight-Binding
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-11-17
err17
errOAAI
errKeceli, Murat; Zhang, Hong; Zapol, Peter; Dixon, David A.; Wagner, Albert F.
err分享
err收藏
Response to Comment on 'Fermi resonance in solid CO2 under pressure' [J. Chem. Phys. 140, 177101 (2014)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-05-05
err5
errOAAI
errHirata, So; Sode, Olaseni; Keeli, Murat; Yagi, Kiyoshi; Li, Jinjin
err分享
err收藏
Fermi resonance in solid CO2 under pressure
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2013-02-19
err52
PREAI
errSode, Olaseni; Keceli, Murat; Yagi, Kiyoshi; Hirata, So
err分享
err收藏
Optimized coordinates for anharmonic vibrational structure theories非谐振动结构理论的优化坐标
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-11-28
err98
PREAI
errYagi, Kiyoshi; Keceli, Murat; Hirata, So
err分享
err收藏
Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-06-20
err21
PREAI
errHermes, Matthew R.; Keceli, Murat; Hirata, So
err分享
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Extensivity of Energy and Electronic and Vibrational Structure Methods for Crystals
errannual review of physical chemistry
IF0
err2012-05-05
err21
PREAI
errHirata, So; Keceli, Murat; Ohnishi, Yu-ya; Sode, Olaseni; Yagi, Kiyoshi
err分享
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研究方向

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合作学者
合作期刊
D
David A. Dixon
H 指数: 97 · 论文数: 1.4K
H
Henry J. Curran
H 指数: 95 · 论文数: 388
S
Stephen J. Klippenstein
H 指数: 88 · 论文数: 438
E
E. A. Huerta
H 指数: 87 · 论文数: 315
L
Lin X. Chen
H 指数: 75 · 论文数: 424
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