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Shankar, Sadasivan
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1

The perils of machine learning in designing new chemicals a..:

Shankar, Sadasivan ; Zare, Richard N.
Nature Machine Intelligence.  4 (2022)  4 - p. 314-315 , 2022
Link: https://doi.org/10.1038/..
 
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2

Now Is the Time to Build a National Data Ecosystem for Mate..:

Campo, Eva M. ; Shankar, Sadasivan ; Szalay, Alexander S..
ACS Omega.  7 (2022)  16 - p. 13398-13402 , 2022
Link: https://doi.org/10.1021/..
 
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3

Physical bioenergetics: Energy fluxes, budgets, and constra..:

Yang, Xingbo ; Heinemann, Matthias ; Howard, Jonathon...
Proceedings of the National Academy of Sciences.  118 (2021)  26 - p. , 2021
Link: https://doi.org/10.1073/..
 
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4

Phase stability in nanoscale material systems: extension fr..:

Bajaj, Saurabh ; Haverty, Michael G. ; Arróyave, Raymundo..
Nanoscale.  7 (2015)  21 - p. 9868-9877 , 2015
Link: https://doi.org/10.1039/..
 
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5

Correction: Phase stability in nanoscale material systems: ..:

Bajaj, Saurabh ; Haverty, Michael G. ; Arróyave, Raymundo..
Nanoscale.  7 (2015)  48 - p. 20776-20776 , 2015
Link: https://doi.org/10.1039/..
 
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6

Extended temperature-accelerated dynamics: Enabling long-ti..:

Bochenkov, Vladimir ; Suetin, Nikolay ; Shankar, Sadasivan
The Journal of Chemical Physics.  141 (2014)  9 - p. , 2014
Link: https://doi.org/10.1063/..
 
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7

Chemical tuning of band alignments for Cu/HfO2 interfaces:

Uttamchandani, Rajiv ; Zhang, Xu ; Shankar, Sadasivan.
physica status solidi (b).  252 (2014)  2 - p. 298-304 , 2014
Link: https://doi.org/10.1002/..
 
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8

Effect of structure on electronic properties of the iron-ca..:

Jones, Sarah L.T. ; Greene-Diniz, Gabriel ; Haverty, Michael..
Chemical Physics Letters.  615 (2014)  - p. 11-15 , 2014
Link: https://doi.org/10.1016/..
 
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9

Divacancies in carbon nanotubes and their influence on elec..:

Greene-Diniz, Gabriel ; Jones, Sarah L T ; Fagas, Giorgos...
Journal of Physics: Condensed Matter.  26 (2014)  4 - p. 045303 , 2014
Link: https://doi.org/10.1088/..
 
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10

Band offsets and dielectric properties of the amorphous Si3..:

Anh Pham, T. ; Li, Tianshu ; Nguyen, Huy-Viet...
Applied Physics Letters.  102 (2013)  24 - p. , 2013
Link: https://doi.org/10.1063/..
 
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11

Microscopic modeling of the dielectric properties of silico..:

Pham, T. Anh ; Li, Tianshu ; Shankar, Sadasivan..
Physical Review B.  84 (2011)  4 - p. , 2011
Link: https://doi.org/10.1103/..
 
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12

First-principles investigations of the dielectric propertie..:

Pham, T. Anh ; Li, Tianshu ; Shankar, Sadasivan..
Applied Physics Letters.  96 (2010)  6 - p. , 2010
Link: https://doi.org/10.1063/..
 
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13

Front Cover (Phys. Status Solidi B 7/2010):

Feldman, Baruch ; Park, Seongjun ; Haverty, Michael..
physica status solidi (b).  247 (2010)  7 - p. n/a-n/a , 2010
Link: https://doi.org/10.1002/..
 
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14

Simulation of grain boundary effects on electronic transpor..:

Feldman, Baruch ; Park, Seongjun ; Haverty, Michael..
physica status solidi (b).  247 (2010)  7 - p. 1791-1796 , 2010
Link: https://doi.org/10.1002/..
 
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15

Computation from Devices to System Level Thermodynamics:

Shankar, Sadasivan ; Zhirnov, Victor ; Cavin, Ralph
ECS Transactions.  25 (2009)  7 - p. 421-431 , 2009
Link: https://doi.org/10.1149/..
 
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