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Chagas da Silva, Maurício
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1

Assessing the Accuracy of Machine Learning Thermodynamic Pe..:

Herzog, Basile ; Chagas da Silva, Maurício ; Casier, Bastien...
Journal of Chemical Theory and Computation.  18 (2022)  3 - p. 1382-1394 , 2022
Link: https://doi.org/10.1021/..
 
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2

Self-Consistent Potential Correction for Charged Periodic S..:

Chagas da Silva, Mauricio ; Lorke, Michael ; Aradi, Bálint...
Physical Review Letters.  126 (2021)  7 - p. , 2021
Link: https://doi.org/10.1103/..
 
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3

Hybrid localized graph kernel for machine learning energy‐r..:

Casier, Bastien ; Chagas da Silva, Mauricio ; Badawi, Michael...
Journal of Computational Chemistry.  42 (2021)  20 - p. 1390-1401 , 2021
Link: https://doi.org/10.1002/..
 
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4

Electronic Properties and Charge Transfer of Topologically ..:

da Rosa, Andreia L. ; Lima, Erika Nascimento ; Chagas da Silva, Maurício...
The Journal of Physical Chemistry C.  124 (2020)  21 - p. 11708-11715 , 2020
Link: https://doi.org/10.1021/..
 
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5

First-principles calculations of the structural, mechanical..:

Li, Xiaohong ; Chagas da Silva, Maurício ; Salahub, Dennis R.
Journal of Alloys and Compounds.  698 (2017)  - p. 291-303 , 2017
Link: https://doi.org/10.1016/..
 
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6

An adaptive design approach for defects distribution modeli..:

Lourenço, Maicon Pierre ; dos Santos Anastácio, Alexandre ; Rosa, Andreia L...
Journal of Molecular Modeling.  26 (2020)  7 - p. , 2020
Link: https://doi.org/10.1007/..
 
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7

Exploring charge density distribution and electronic proper..:

Bento de Oliveira, Flávio ; Lima, Erika Nascimento ; da Silva, Mauricio Chagas..
Physical Chemistry Chemical Physics.  22 (2020)  38 - p. 22055-22065 , 2020
Link: https://doi.org/10.1039/..
 
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8

Selective ion binding and transport by membrane proteins – ..:

Zhekova, Hristina R. ; Ngo, Van ; da Silva, Mauricio Chagas..
Coordination Chemistry Reviews.  345 (2017)  - p. 108-136 , 2017
Link: https://doi.org/10.1016/..
 
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9

FASP: a framework for automation of Slater–Koster file para..:

Lourenço, Maicon Pierre ; da Silva, Maurício Chagas ; Oliveira, Augusto Faria..
Theoretical Chemistry Accounts.  135 (2016)  11 - p. , 2016
Link: https://doi.org/10.1007/..
 
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10

Representation of Ion–Protein Interactions Using the Drude ..:

Li, Hui ; Ngo, Van ; Da Silva, Mauricio Chagas...
The Journal of Physical Chemistry B.  119 (2015)  29 - p. 9401-9416 , 2015
Link: https://doi.org/10.1021/..
 
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11

Structural, Electronic, and Mechanical Properties of Inner ..:

da Silva, Maurício Chagas ; dos Santos, Egon Campos ; Lourenço, Maicon Pierre..
Frontiers in Materials.  2 (2015)  - p. , 2015
Link: https://doi.org/10.3389/..
 
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12

Nanotubes With Well-Defined Structure: Single- and Double-W..:

Lourenço, Maicon P. ; Guimarães, Luciana ; da Silva, Maurício Chagas...
The Journal of Physical Chemistry C.  118 (2014)  11 - p. 5945-5953 , 2014
Link: https://doi.org/10.1021/..
 
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13

Structural, mechanical and electronic properties of nano-fi..:

da Silva, Maurício Chagas ; dos Santos, Egon Campos ; Lourenço, Maicon Pierre.
Journal of Molecular Modeling.  19 (2012)  5 - p. 1995-2005 , 2012
Link: https://doi.org/10.1007/..
 
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14

Tuning electronic and optical properties of bismuth monolay..:

Rosa, Andréia Luísa da ; Lima, Erika Nascimento ; Silva, Maurício Chagas da...
Surface Science.  710 (2021)  - p. 121849 , 2021
Link: https://doi.org/10.1016/..
 
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15

Assessing the Accuracy of Machine Learning Thermodynamic Pe..:

Herzog, Basile ; da Silva, Mauricio Chagas ; Casier, Bastien...
http://arxiv.org/abs/2110.06818.  , 2021
Link: http://arxiv.org/abs/211..
 
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