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Suryanarayana, Phanish
122  Ergebnisse:
Personensuche X
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1

Strain engineering of Zeeman and Rashba effects in transiti..:

Bhardwaj, Arpit ; Suryanarayana, Phanish
Nanotechnology.  35 (2024)  18 - p. 185701 , 2024
Link: https://doi.org/10.1088/..
 
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2

Overcoming the Chemical Complexity Bottleneck in on-the-Fly..:

Timmerman, Lucas R. ; Kumar, Shashikant ; Suryanarayana, Phanish.
Journal of Chemical Theory and Computation.  20 (2024)  14 - p. 5788-5795 , 2024
Link: https://doi.org/10.1021/..
 
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3

Cover Feature: Self‐Consistent Convolutional Density Functi..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem.  25 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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4

Self‐Consistent Convolutional Density Functional Approximat..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem.  25 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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5

SPARC v2.0.0: Spin-orbit coupling, dispersion interactions,..:

Zhang, Boqin ; Jing, Xin ; Xu, Qimen...
Software Impacts.  20 (2024)  - p. 100649 , 2024
Link: https://doi.org/10.1016/..
 
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6

Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-i..:

Zhang, Boqin ; Jing, Xin ; Kumar, Shashikant.
SoftwareX.  21 (2023)  - p. 101295 , 2023
Link: https://doi.org/10.1016/..
 
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7

Assessing the source of error in the Thomas–Fermi–von Weizs..:

Thapa, Bishal ; Jing, Xin ; Pask, John E...
The Journal of Chemical Physics.  158 (2023)  21 - p. , 2023
Link: https://doi.org/10.1063/..
 
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8

Ab initio study on the electromechanical response of Janus ..:

Bhardwaj, Arpit ; Suryanarayana, Phanish
The European Physical Journal B.  96 (2023)  3 - p. , 2023
Link: https://doi.org/10.1140/..
 
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9

GPU acceleration of local and semilocal density functional ..:

Sharma, Abhiraj ; Metere, Alfredo ; Suryanarayana, Phanish...
The Journal of Chemical Physics.  158 (2023)  20 - p. , 2023
Link: https://doi.org/10.1063/..
 
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10

Soft and transferable pseudopotentials from multi-objective..:

Shojaei, Mostafa Faghih ; Pask, John E. ; Medford, Andrew J..
Computer Physics Communications.  283 (2023)  - p. 108594 , 2023
Link: https://doi.org/10.1016/..
 
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11

On the effective dynamic mass of mechanical lattices with m..:

Fedele, Francesco ; Suryanarayana, Phanish ; Yavari, Arash
Journal of the Mechanics and Physics of Solids.  179 (2023)  - p. 105393 , 2023
Link: https://doi.org/10.1016/..
 
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12

Calculation of phonons in real-space density functional the..:

Sharma, Abhiraj ; Suryanarayana, Phanish
Physical Review E.  108 (2023)  4 - p. , 2023
Link: https://doi.org/10.1103/..
 
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13

Strain engineering of Janus transition metal dichalcogenide..:

Bhardwaj, Arpit ; Suryanarayana, Phanish
The European Physical Journal B.  95 (2022)  3 - p. , 2022
Link: https://doi.org/10.1140/..
 
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14

Ab-Initio Investigation of Finite Size Effects in Rutile Ti..:

Sahoo, Sushree Jagriti ; Jing, Xin ; Suryanarayana, Phanish.
The Journal of Physical Chemistry C.  126 (2022)  4 - p. 2121-2130 , 2022
Link: https://doi.org/10.1021/..
 
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15

Pseudodiagonalization Method for Accelerating Nonlinear Sub..:

Shah, Shikhar ; Suryanarayana, Phanish ; Chow, Edmond
Journal of Chemical Theory and Computation.  18 (2022)  6 - p. 3474-3482 , 2022
Link: https://doi.org/10.1021/..
 
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