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X
Krogel, J. T.
105  Ergebnisse:
Personensuche X
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1

Gaussian process based optimization of molecular geometries..:

Archibald, R. ; Krogel, J. T. ; Kent, P. R. C.
The Journal of Chemical Physics.  149 (2018)  16 - p. , 2018
Link: https://doi.org/10.1063/..
 
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2

Enhanced Twist-Averaging Technique for Magnetic Metals: App..:

Annaberdiyev, Abdulgani ; Ganesh, Panchapakesan ; Krogel, Jaron T.
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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3

DFT+U and quantum Monte Carlo study of electronic and optic..:

Shin, Hyeondeok ; Ganesh, Panchapakesan ; Kent, Paul R. C....
Physical Chemistry Chemical Physics.  26 (2024)  8 - p. 6967-6976 , 2024
Link: https://doi.org/10.1039/..
 
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4

Enhancing MnBi2Te4 Stability by Doping:

Saritas, Kayahan ; Ghaffar, Abdul ; Krogel, Jaron T....
The Journal of Physical Chemistry C.  128 (2024)  24 - p. 10108-10119 , 2024
Link: https://doi.org/10.1021/..
 
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5

JARVIS-Leaderboard: a large scale benchmark of materials de..:

Choudhary, Kamal ; Wines, Daniel ; Li, Kangming...
npj Computational Materials.  10 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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6

Predictions of delafossite-hosted honeycomb and kagome phas..:

Krogel, Jaron T. ; Ichibha, Tomohiro ; Saritas, Kayahan..
Physical Chemistry Chemical Physics.  26 (2024)  10 - p. 8327-8333 , 2024
Link: https://doi.org/10.1039/..
 
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7

Structural Stability of Graphene-Supported Pt Layers: Diffu..:

Ahn, Jeonghwan ; Hong, Iuegyun ; Lee, Gwangyoung...
The Journal of Physical Chemistry C.  127 (2023)  37 - p. 18630-18640 , 2023
Link: https://doi.org/10.1021/..
 
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8

Existence of La-site antisite defects in $$\hbox{LaMO}_3$$ ..:

Ichibha, Tom ; Saritas, Kayahan ; Krogel, Jaron T....
Scientific Reports.  13 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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9

Locality error free effective core potentials for 3d transi..:

Ichibha, Tom ; Nikaido, Yutaka ; Bennett, M. Chandler...
The Journal of Chemical Physics.  159 (2023)  16 - p. , 2023
Link: https://doi.org/10.1063/..
 
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10

A Quantum Monte Carlo Study of the Structural, Energetic, a..:

Wines, Daniel ; Tiihonen, Juha ; Saritas, Kayahan..
The Journal of Physical Chemistry Letters.  14 (2023)  14 - p. 3553-3560 , 2023
Link: https://doi.org/10.1021/..
 
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11

Procedures for Assessing the Stability of Proposed Topologi..:

Ahn, Jeonghwan ; Kang, Seoung-Hun ; Du, Mao-Hua...
The Journal of Physical Chemistry C.  127 (2023)  34 - p. 17021-17028 , 2023
Link: https://doi.org/10.1021/..
 
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12

The role of electron correlations in the electronic structu..:

Annaberdiyev, Abdulgani ; Mandal, Subhasish ; Mitas, Lubos..
npj Quantum Materials.  8 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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13

Stacking Faults and Topological Properties in MnBi2Te4: Rec..:

Ahn, Jeonghwan ; Kang, Seoung-Hun ; Yoon, Mina..
The Journal of Physical Chemistry Letters.  14 (2023)  40 - p. 9052-9059 , 2023
Link: https://doi.org/10.1021/..
 
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14

Toward DMC Accuracy Across Chemical Space with Scalable Δ-Q..:

Huang, Bing ; von Lilienfeld, O. Anatole ; Krogel, Jaron T..
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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15

Emergent Magnetism with Continuous Control in the Ultrahigh..:

Brahlek, Matthew ; Mazza, Alessandro R. ; Annaberdiyev, Abdulgani...
Nano Letters.  23 (2023)  16 - p. 7279-7287 , 2023
Link: https://doi.org/10.1021/..
 
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