ReP USP - Resultado da busca

Relatorio tecnico
Size and quality of quantum mechanical data sets for training neural network force fields for liquid water (2022)
Gomes-Filho, Márcio S.; Rocha, Alexandre Reily ; Pedroza, Luana S.; Torres, Alberto Martinez
Unidade: IF
Subjects: MECÂNICA QUÂNTICA, TERMODINÂMICA
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ABNT
GOMES-FILHO, Márcio S. et al. Size and quality of quantum mechanical data sets for training neural network force fields for liquid water. . São Paulo: Instituto de Física, Universidade de São Paulo. Disponível em: https://arxiv.org/pdf/2209.04059.pdf. Acesso em: 27 abr. 2024. , 2022
APA
Gomes-Filho, M. S., Rocha, A. R., Pedroza, L. S., & Torres, A. M. (2022). Size and quality of quantum mechanical data sets for training neural network force fields for liquid water. São Paulo: Instituto de Física, Universidade de São Paulo. Recuperado de https://arxiv.org/pdf/2209.04059.pdf
NLM
Gomes-Filho MS, Rocha AR, Pedroza LS, Torres AM. Size and quality of quantum mechanical data sets for training neural network force fields for liquid water [Internet]. 2022 ;[citado 2024 abr. 27 ] Available from: https://arxiv.org/pdf/2209.04059.pdf
Vancouver
Gomes-Filho MS, Rocha AR, Pedroza LS, Torres AM. Size and quality of quantum mechanical data sets for training neural network force fields for liquid water [Internet]. 2022 ;[citado 2024 abr. 27 ] Available from: https://arxiv.org/pdf/2209.04059.pdf
Relatorio tecnico
Systematic investigation of a family of gradient-dependent functionals for solids (2020)
Haas, Philipp; Tran, Fabien; Blaha, Peter; Pedroza, Luana S.; Odashima, Mariana M.; Capelle, Klaus; Silva, Antonio Jose Roque da
Unidade: IF
Assunto: ESTRUTURA ELETRÔNICA
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ABNT
HAAS, Philipp et al. Systematic investigation of a family of gradient-dependent functionals for solids. . São Paulo: Instituto de Física, Universidade de São Paulo. Disponível em: https://arxiv.org/pdf/1003.2530.pdf. Acesso em: 27 abr. 2024. , 2020
APA
Haas, P., Tran, F., Blaha, P., Pedroza, L. S., Odashima, M. M., Capelle, K., & Silva, A. J. R. da. (2020). Systematic investigation of a family of gradient-dependent functionals for solids. São Paulo: Instituto de Física, Universidade de São Paulo. Recuperado de https://arxiv.org/pdf/1003.2530.pdf
NLM
Haas P, Tran F, Blaha P, Pedroza LS, Odashima MM, Capelle K, Silva AJR da. Systematic investigation of a family of gradient-dependent functionals for solids [Internet]. 2020 ;[citado 2024 abr. 27 ] Available from: https://arxiv.org/pdf/1003.2530.pdf
Vancouver
Haas P, Tran F, Blaha P, Pedroza LS, Odashima MM, Capelle K, Silva AJR da. Systematic investigation of a family of gradient-dependent functionals for solids [Internet]. 2020 ;[citado 2024 abr. 27 ] Available from: https://arxiv.org/pdf/1003.2530.pdf
Artigo de periodico
Interaction of water with the gypsum (010) surface: structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics (2018)
Santos, Jaciara C. C.; Negreiros, Fabio R.; Pedroza, Luana S.; Dalpian, Gustavo M.; Miranda, Paulo Barbeitas
Source: Journal of the American Chemical Society. Unidade: IFSC
Subjects: ÓPTICA NÃO LINEAR, ÓPTICA ELETRÔNICA
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ABNT
SANTOS, Jaciara C. C. et al. Interaction of water with the gypsum (010) surface: structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics. Journal of the American Chemical Society, v. 140, n. 49, p. 17141-17152, 2018Tradução . . Disponível em: https://doi.org/10.1021/jacs.8b09907. Acesso em: 27 abr. 2024.
APA
Santos, J. C. C., Negreiros, F. R., Pedroza, L. S., Dalpian, G. M., & Miranda, P. B. (2018). Interaction of water with the gypsum (010) surface: structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics. Journal of the American Chemical Society, 140( 49), 17141-17152. doi:10.1021/jacs.8b09907
NLM
Santos JCC, Negreiros FR, Pedroza LS, Dalpian GM, Miranda PB. Interaction of water with the gypsum (010) surface: structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics [Internet]. Journal of the American Chemical Society. 2018 ; 140( 49): 17141-17152.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jacs.8b09907
Vancouver
Santos JCC, Negreiros FR, Pedroza LS, Dalpian GM, Miranda PB. Interaction of water with the gypsum (010) surface: structure and dynamics from nonlinear vibrational spectroscopy and Ab initio molecular dynamics [Internet]. Journal of the American Chemical Society. 2018 ; 140( 49): 17141-17152.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1021/jacs.8b09907
Trabalho de evento-resumo
Interaction of water with the Gypsum (010) surface: a study by SFG vibrational spectroscopy and ab initio MD simulations (2017)
Santos, Jaciara C. C.; Ribeiro, Fabio; Pedroza, Luana S.; Dalpian, Gustavo; Miranda, Paulo Barbeitas
Source: Book of abstracts: oral program. Conference titles: Conference of the European Colloid and Interface Society - ECIS. Unidade: IFSC
Subjects: GESSO, ESPECTROSCOPIA, MODELAGEM MOLECULAR
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ABNT
SANTOS, Jaciara C. C. et al. Interaction of water with the Gypsum (010) surface: a study by SFG vibrational spectroscopy and ab initio MD simulations. 2017, Anais.. Rome: European Colloid and Interface Society - ECIS, 2017. Disponível em: http://www.ecis2017madrid.com/uploads/docs/Book_of_Abstracts_Oral_Program.pdf. Acesso em: 27 abr. 2024.
APA
Santos, J. C. C., Ribeiro, F., Pedroza, L. S., Dalpian, G., & Miranda, P. B. (2017). Interaction of water with the Gypsum (010) surface: a study by SFG vibrational spectroscopy and ab initio MD simulations. In Book of abstracts: oral program. Rome: European Colloid and Interface Society - ECIS. Recuperado de http://www.ecis2017madrid.com/uploads/docs/Book_of_Abstracts_Oral_Program.pdf
NLM
Santos JCC, Ribeiro F, Pedroza LS, Dalpian G, Miranda PB. Interaction of water with the Gypsum (010) surface: a study by SFG vibrational spectroscopy and ab initio MD simulations [Internet]. Book of abstracts: oral program. 2017 ;[citado 2024 abr. 27 ] Available from: http://www.ecis2017madrid.com/uploads/docs/Book_of_Abstracts_Oral_Program.pdf
Vancouver
Santos JCC, Ribeiro F, Pedroza LS, Dalpian G, Miranda PB. Interaction of water with the Gypsum (010) surface: a study by SFG vibrational spectroscopy and ab initio MD simulations [Internet]. Book of abstracts: oral program. 2017 ;[citado 2024 abr. 27 ] Available from: http://www.ecis2017madrid.com/uploads/docs/Book_of_Abstracts_Oral_Program.pdf
Trabalho de evento-resumo
Water adsorption on the gypsum (010) surface: a theoretical and experimental study (2016)
Pedroza, Luana S.; Ribeiro, Fabio N.; Dalpian, Gustavo M.; Santos, Jaciara C. de Carvalho; Miranda, Paulo Barbeitas
Source: Resumos. Conference titles: Encontro de Física. Unidade: IFSC
Subjects: ESPECTROSCOPIA, MOLÉCULA (INTERAÇÃO), ÁGUA (PROPRIEDADES)
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ABNT
PEDROZA, Luana S. et al. Water adsorption on the gypsum (010) surface: a theoretical and experimental study. 2016, Anais.. São Paulo: Sociedade Brasileira de Física - SBF, 2016. Disponível em: http://www1.sbfisica.org.br/eventos/enf/2016/sys/resumos/R1283-1.pdf. Acesso em: 27 abr. 2024.
APA
Pedroza, L. S., Ribeiro, F. N., Dalpian, G. M., Santos, J. C. de C., & Miranda, P. B. (2016). Water adsorption on the gypsum (010) surface: a theoretical and experimental study. In Resumos. São Paulo: Sociedade Brasileira de Física - SBF. Recuperado de http://www1.sbfisica.org.br/eventos/enf/2016/sys/resumos/R1283-1.pdf
NLM
Pedroza LS, Ribeiro FN, Dalpian GM, Santos JC de C, Miranda PB. Water adsorption on the gypsum (010) surface: a theoretical and experimental study [Internet]. Resumos. 2016 ;[citado 2024 abr. 27 ] Available from: http://www1.sbfisica.org.br/eventos/enf/2016/sys/resumos/R1283-1.pdf
Vancouver
Pedroza LS, Ribeiro FN, Dalpian GM, Santos JC de C, Miranda PB. Water adsorption on the gypsum (010) surface: a theoretical and experimental study [Internet]. Resumos. 2016 ;[citado 2024 abr. 27 ] Available from: http://www1.sbfisica.org.br/eventos/enf/2016/sys/resumos/R1283-1.pdf
Artigo de periodico
Systematic investigation of a family of gradient-dependent functionals for solids (2010)
Haas, Philipp; Tran, Fabien; Blaha, Peter; Pedroza, Luana S.; Silva, Antonio Jose Roque da; Odashima, Mariana M.; Capelle, Klaus
Source: Physical Review B. Unidade: IF
Subjects: DENSIDADE, FÍSICA DO ESTADO SÓLIDO, FÍSICA TEÓRICA
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ABNT
HAAS, Philipp et al. Systematic investigation of a family of gradient-dependent functionals for solids. Physical Review B, v. 81, n. 12, p. 125136-1-125136-10, 2010Tradução . . Disponível em: https://doi.org/10.1103/PhysRevB.81.125136. Acesso em: 27 abr. 2024.
APA
Haas, P., Tran, F., Blaha, P., Pedroza, L. S., Silva, A. J. R. da, Odashima, M. M., & Capelle, K. (2010). Systematic investigation of a family of gradient-dependent functionals for solids. Physical Review B, 81( 12), 125136-1-125136-10. doi:10.1103/PhysRevB.81.125136
NLM
Haas P, Tran F, Blaha P, Pedroza LS, Silva AJR da, Odashima MM, Capelle K. Systematic investigation of a family of gradient-dependent functionals for solids [Internet]. Physical Review B. 2010 ; 81( 12): 125136-1-125136-10.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1103/PhysRevB.81.125136
Vancouver
Haas P, Tran F, Blaha P, Pedroza LS, Silva AJR da, Odashima MM, Capelle K. Systematic investigation of a family of gradient-dependent functionals for solids [Internet]. Physical Review B. 2010 ; 81( 12): 125136-1-125136-10.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1103/PhysRevB.81.125136
Artigo de periodico
Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids (2009)
Pedroza, Luana S.; Silva, Antonio Jose Roque da; Capelle, Klaus
Source: Physical Review B. Unidades: IF, IFSC
Subjects: FÍSICA DO ESTADO SÓLIDO, MECÂNICA QUÂNTICA, ÍONS, APROXIMAÇÃO
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ABNT
PEDROZA, Luana S. e SILVA, Antonio Jose Roque da e CAPELLE, Klaus. Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids. Physical Review B, v. 79, n. 20, p. 201106-1-201106-4, 2009Tradução . . Disponível em: https://doi.org/10.1103/physrevb.79.201106. Acesso em: 27 abr. 2024.
APA
Pedroza, L. S., Silva, A. J. R. da, & Capelle, K. (2009). Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids. Physical Review B, 79( 20), 201106-1-201106-4. doi:10.1103/physrevb.79.201106
NLM
Pedroza LS, Silva AJR da, Capelle K. Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids [Internet]. Physical Review B. 2009 ; 79( 20): 201106-1-201106-4.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1103/physrevb.79.201106
Vancouver
Pedroza LS, Silva AJR da, Capelle K. Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids [Internet]. Physical Review B. 2009 ; 79( 20): 201106-1-201106-4.[citado 2024 abr. 27 ] Available from: https://doi.org/10.1103/physrevb.79.201106

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