Prediction of Stable Nitride Perovskites
Sarmiento-Pérez, Rafael, Cerqueira, Tiago F. T, Körbel, Sabine, Botti, Silvana, Marques, Miguel A. L
Published in Chemistry of materials (08.09.2015)
Published in Chemistry of materials (08.09.2015)
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Journal Article
Efficient first-principles prediction of solid stability: Towards chemical accuracy
Zhang, Yubo, Kitchaev, Daniil A., Yang, Julia, Chen, Tina, Dacek, Stephen T., Sarmiento-Pérez, Rafael A., Marques, Maguel A. L., Peng, Haowei, Ceder, Gerbrand, Perdew, John P., Sun, Jianwei
Published in npj computational materials (09.03.2018)
Published in npj computational materials (09.03.2018)
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Journal Article
Novel crystal structures for lithium–silicon alloy predicted by minima hopping method
Valencia-Jaime, Irais, Sarmiento-Pérez, Rafael, Botti, Silvana, Marques, Miguel A.L., Amsler, M., Goedecker, S., Romero, Aldo H.
Published in Journal of alloys and compounds (15.01.2016)
Published in Journal of alloys and compounds (15.01.2016)
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Journal Article
Materials Design On-the-Fly
Cerqueira, Tiago F. T, Sarmiento-Pérez, Rafael, Amsler, Maximilian, Nogueira, F, Botti, Silvana, Marques, Miguel A. L
Published in Journal of chemical theory and computation (11.08.2015)
Published in Journal of chemical theory and computation (11.08.2015)
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Journal Article
Sodium-gold binaries: novel structures for ionic compounds from an ab initio structural search
Sarmiento-Pérez, Rafael, Cerqueira, Tiago F T, Valencia-Jaime, Irais, Amsler, Maximilian, Goedecker, Stefan, Botti, Silvana, Marques, Miguel A L, Romero, Aldo H
Published in New journal of physics (12.11.2013)
Published in New journal of physics (12.11.2013)
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Journal Article
Correction to Prediction of Stable Nitride Perovskites
Sarmiento-Pérez, Rafael, Cerqueira, Tiago F. T, Körbel, Sabine, Botti, Silvana, Marques, Miguel A. L
Published in Chemistry of materials (24.11.2015)
Published in Chemistry of materials (24.11.2015)
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Journal Article
Novel phases of lithium-aluminum binaries from first-principles structural search
Sarmiento-Pérez, Rafael, Cerqueira, Tiago F T, Valencia-Jaime, Irais, Amsler, Maximilian, Goedecker, Stefan, Romero, Aldo H, Botti, Silvana, Marques, Miguel A L
Published in The Journal of chemical physics (14.01.2015)
Published in The Journal of chemical physics (14.01.2015)
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Journal Article
The crystal structure of p-type transparent conductive oxide CuBO2
Cerqueira, Tiago F.T., Sarmiento-Pérez, Rafael, Trani, Fabio, Amsler, Maximilian, Goedecker, Stefan, Marques, Miguel A.L., Botti, Silvana
Published in MRS communications (01.09.2013)
Published in MRS communications (01.09.2013)
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Journal Article
Surprising role of the BDC organic ligand in the adsorption of CO2 by MOF-5
Sarmiento-Perez, Rafael A., Rodriguez-Albelo, L. Marleny, Gomez, Ariel, Autie-Perez, Miguel, Lewis, Dewi W., Ruiz-Salvador, A. Rabdel
Published in Microporous and mesoporous materials (15.11.2012)
Published in Microporous and mesoporous materials (15.11.2012)
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Journal Article
The crystal structure of p-type transparent conductive oxide CuBO 2
Cerqueira, Tiago F.T., Sarmiento-Pérez, Rafael, Trani, Fabio, Amsler, Maximilian, Goedecker, Stefan, Marques, Miguel A.L., Botti, Silvana
Published in MRS communications (01.09.2013)
Published in MRS communications (01.09.2013)
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Journal Article
Enabling Continuous Testing of HPC Systems Using ReFrame
Karakasis, Vasileios, Manitaras, Theofilos, Rusu, Victor Holanda, Sarmiento-Pérez, Rafael, Bignamini, Christopher, Kraushaar, Matthias, Jocksch, Andreas, Omlin, Samuel, Peretti-Pezzi, Guilherme, Augusto, João P. S. C., Friesen, Brian, He, Yun, Gerhardt, Lisa, Cook, Brandon, You, Zhi-Qiang, Khuvis, Samuel, Tomko, Karen
Published in Tools and Techniques for High Performance Computing
Published in Tools and Techniques for High Performance Computing
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Book Chapter
ChemInform Abstract: Prediction of Stable Nitride Perovskites
Sarmiento-Perez, Rafael, Cerqueira, Tiago F. T., Koerbel, Sabine, Botti, Silvana, Marques, Miguel A. L.
Published in ChemInform (01.11.2015)
Published in ChemInform (01.11.2015)
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Journal Article