Controlling Topological States in Topological/Normal Insulator Heterostructures
Costa, Marcio, Costa, Antônio T, Freitas, Walter A, Schmidt, Tome M, Buongiorno Nardelli, Marco, Fazzio, Adalberto
Published in ACS omega (30.11.2018)
Published in ACS omega (30.11.2018)
Get full text
Journal Article
The high-throughput highway to computational materials design
Curtarolo, Stefano, Hart, Gus L W, Nardelli, Marco Buongiorno, Mingo, Natalio, Sanvito, Stefano, Levy, Ohad
Published in Nature materials (01.03.2013)
Published in Nature materials (01.03.2013)
Get full text
Journal Article
The 2019 materials by design roadmap
Alberi, Kirstin, Nardelli, Marco Buongiorno, Zakutayev, Andriy, Mitas, Lubos, Curtarolo, Stefano, Jain, Anubhav, Fornari, Marco, Marzari, Nicola, Takeuchi, Ichiro, Green, Martin L, Kanatzidis, Mercouri, Toney, Mike F, Butenko, Sergiy, Meredig, Bryce, Lany, Stephan, Kattner, Ursula, Davydov, Albert, Toberer, Eric S, Stevanovic, Vladan, Walsh, Aron, Park, Nam-Gyu, Aspuru-Guzik, Alán, Tabor, Daniel P, Nelson, Jenny, Murphy, James, Setlur, Anant, Gregoire, John, Li, Hong, Xiao, Ruijuan, Ludwig, Alfred, Martin, Lane W, Rappe, Andrew M, Wei, Su-Huai, Perkins, John
Published in Journal of physics. D, Applied physics (02.01.2019)
Published in Journal of physics. D, Applied physics (02.01.2019)
Get full text
Journal Article
Electronic and transport properties of artificial gold chains
Calzolari, Arrigo, Cavazzoni, Carlo, Buongiorno Nardelli, Marco
Published in Physical review letters (27.08.2004)
Published in Physical review letters (27.08.2004)
Get more information
Journal Article
First principles study of the permeability of graphene to hydrogen atoms
MENG MIAO, BUONGIORNO NARDELLI, Marco, QI WANG, YINGCHUN LIU
Published in Physical chemistry chemical physics : PCCP (14.10.2013)
Published in Physical chemistry chemical physics : PCCP (14.10.2013)
Get full text
Journal Article
Advanced modeling of materials with PAOFLOW 2.0: New features and software design
Cerasoli, Frank T., Supka, Andrew R., Jayaraj, Anooja, Costa, Marcio, Siloi, Ilaria, Sławińska, Jagoda, Curtarolo, Stefano, Fornari, Marco, Ceresoli, Davide, Buongiorno Nardelli, Marco
Published in Computational materials science (01.12.2021)
Published in Computational materials science (01.12.2021)
Get full text
Journal Article
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations
Curtarolo, Stefano, Setyawan, Wahyu, Wang, Shidong, Xue, Junkai, Yang, Kesong, Taylor, Richard H., Nelson, Lance J., Hart, Gus L.W., Sanvito, Stefano, Buongiorno-Nardelli, Marco, Mingo, Natalio, Levy, Ohad
Published in Computational materials science (01.06.2012)
Published in Computational materials science (01.06.2012)
Get full text
Journal Article
FORMATION AND PROPERTIES OF ASTROPHYSICAL CARBONACEOUS DUST. I. AB-INITIO CALCULATIONS OF THE CONFIGURATION AND BINDING ENERGIES OF SMALL CARBON CLUSTERS
Mauney, Christopher, Nardelli, Marco Buongiorno, Lazzati, Davide
Published in The Astrophysical journal (10.02.2015)
Published in The Astrophysical journal (10.02.2015)
Get full text
Journal Article
AFLUX: The LUX materials search API for the AFLOW data repositories
Rose, Frisco, Toher, Cormac, Gossett, Eric, Oses, Corey, Nardelli, Marco Buongiorno, Fornari, Marco, Curtarolo, Stefano
Published in Computational materials science (01.09.2017)
Published in Computational materials science (01.09.2017)
Get full text
Journal Article
Chiral Steering of Molecular Organization in the Limit of Weak Adsorbate−Substrate Interactions: Enantiopure and Racemic Tartaric Acid Domains on Ag(111)
Santagata, Nancy M, Lakhani, Amit M, Davis, Bryce F, Luo, Pengshun, Buongiorno Nardelli, Marco, Pearl, Thomas P
Published in Journal of physical chemistry. C (20.05.2010)
Published in Journal of physical chemistry. C (20.05.2010)
Get full text
Journal Article
Relaxation time approximations in PAOFLOW 2.0
Jayaraj, Anooja, Siloi, Ilaria, Fornari, Marco, Nardelli, Marco Buongiorno
Published in Scientific reports (23.03.2022)
Published in Scientific reports (23.03.2022)
Get full text
Journal Article
Networks of materials: Construction and structural analysis
Veremyev, Alexander, Liyanage, Laalitha, Fornari, Marco, Boginski, Vladimir, Curtarolo, Stefano, Butenko, Sergiy, Buongiorno Nardelli, Marco
Published in AIChE journal (01.03.2021)
Published in AIChE journal (01.03.2021)
Get full text
Journal Article
Improved electronic structure and magnetic exchange interactions in transition metal oxides
Gopal, Priya, De Gennaro, Riccardo, Gusmao, Marta Silva dos Santos, Al Rahal Al Orabi, Rabih, Wang, Haihang, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco
Published in Journal of physics. Condensed matter (08.11.2017)
Published in Journal of physics. Condensed matter (08.11.2017)
Get full text
Journal Article
Systematic Band Gap Tuning of BaSnO3 via Chemical Substitutions: The Role of Clustering in Mixed-Valence Perovskites
Lee, Seunghun, Wang, Haihang, Gopal, Priya, Shin, Jongmoon, Jaim, H. M. Iftekhar, Zhang, Xiaohang, Jeong, Se-Young, Usanmaz, Demet, Curtarolo, Stefano, Fornari, Marco, Buongiorno Nardelli, Marco, Takeuchi, Ichiro
Published in Chemistry of materials (14.11.2017)
Published in Chemistry of materials (14.11.2017)
Get full text
Journal Article
Spinodal Superlattices of Topological Insulators
Usanmaz, Demet, Nath, Pinku, Toher, Cormac, Plata, Jose Javier, Friedrich, Rico, Fornari, Marco, Buongiorno Nardelli, Marco, Curtarolo, Stefano
Published in Chemistry of materials (10.04.2018)
Published in Chemistry of materials (10.04.2018)
Get full text
Journal Article