Gian Marco Rignanese (G-M Rignanese, Gian-Marco Rignanese)

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 26

Top Topics

Machine Learning

Molecular Dynamics

High Throughput

Top Venues

Scientific data

Journal of physics. Condensed matter : an Institute of Physics journal

The journal of physical chemistry. A

Science advances

This page only lists publications with an associated author ORCID identifier.

Publications

Felix V E Hensling, D Dahliah, Michelle A Smeaton, B Shrestha, Veronica Show, Christopher T Parzyck, C Hennighausen, G N Kotsonis, Gian Marco Rignanese, M R Barone, Indra Subedi, Ankit Disa, K M Shen, B D Faeth, Anthony T Bollinger, I Božović, N J Podraza, L F Kourkoutis, Geoffroy Hautier, D G Schlom
Is Ba 3 In 2 O 6 a high- T c superconductor? Journal of physics. Condensed matter : an Institute of Physics journal 36 (31) (2024)
Felix V E Hensling, Diana Dahliah, Michelle A Smeaton, Bishal Shrestha, Veronica Show, Christopher T Parzyck, Christopher Hennighausen, George N Kotsonis, Gian Marco Rignanese, Matthew Barone, Indra Subedi, Ankit Disa, Kyle Shen, Brendan D Faeth, Anthony T Bollinger, Ivan Bozovic, Nikolas Podraza, Lena F Kourkoutis, Geoffroy T F Hautier, Darrell G Schlom
Is Ba3In2O6 a high-Tc superconductor? Journal of physics. Condensed matter : an Institute of Physics journal (2024)
Felix V E Hensling, D Dahliah, Michelle A Smeaton, B Shrestha, Veronica Show, Christopher T Parzyck, C Hennighausen, G N Kotsonis, Gian Marco Rignanese, M R Barone, Indra Subedi, Ankit Disa, K M Shen, B D Faeth, Anthony T Bollinger, I Božović, N J Podraza, L F Kourkoutis, Geoffroy Hautier, D G Schlom
Is Ba 3 In 2 O 6 a high- T c superconductor? Journal of physics. Condensed matter : an Institute of Physics journal 36 (31) (2024)
Victor Trinquet, Matthew L Evans, Cameron J Hargreaves, Pierre-Paul De Breuck, Gian Marco Rignanese
Optical materials discovery and design with federated databases and machine learning. Faraday discussions (2024)
John C Thomas, Wei Chen, Yihuang Xiong, Bradford A Barker, Junze Zhou, Weiru Chen, Camilla Coletti, Nolan Kelly, Zhuohang Yu, Da Zhou, Shalini Kumari, Edward S Barnard, Joshua A Robinson, Mauricio Terrones, Adam M Schwartzberg, D Frank Ogletree, Eli Rotenberg, Marcus M Noack, Sinéad M Griffin, Archana Raja, David A Strubbe, Gian Marco Rignanese, Alexander Weber-Bargioni, Geoffroy Hautier
A substitutional quantum defect in WS 2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation. Nature communications 15 (1) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
John C Thomas, Wei Chen, Yihuang Xiong, Bradford A Barker, Junze Zhou, Weiru Chen, Camilla Coletti, Nolan Kelly, Zhuohang Yu, Da Zhou, Shalini Kumari, Edward S Barnard, Joshua A Robinson, Mauricio Terrones, Adam M Schwartzberg, D Frank Ogletree, Eli Rotenberg, Marcus M Noack, Sinéad M Griffin, Archana Raja, David A Strubbe, Gian Marco Rignanese, Alexander Weber-Bargioni, Geoffroy Hautier
A substitutional quantum defect in WS 2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation. Nature communications 15 (1) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Victor Trinquet, Francesco Naccarato, Guillaume Brunin, Guido Petretto, Ludger Wirtz, Geoffroy Hautier, Gian Marco Rignanese
Second-harmonic generation tensors from high-throughput density-functional perturbation theory. Scientific data 11 (1) (2024)
Victor Trinquet, Francesco Naccarato, Guillaume Brunin, Guido Petretto, Ludger Wirtz, Geoffroy Hautier, Gian Marco Rignanese
Second-harmonic generation tensors from high-throughput density-functional perturbation theory. Scientific data 11 (1) (2024)
Roberto Cardia, Nicolas Dardenne, Guido Mula, Elisa Pinna, Gian Marco Rignanese, Jean-Christophe Charlier, Giancarlo Cappellini
First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules. The journal of physical chemistry. A 127 (51) (2023)
Luca M Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam S Dwaraknath, Ádám Fekete, James Kermode, Christoph T Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian Marco Rignanese, Jörg J Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler
Shared metadata for data-centric materials science. Scientific data 10 (1) (2023)
Roberto Cardia, Nicolas Dardenne, Guido Mula, Elisa Pinna, Gian Marco Rignanese, Jean-Christophe Charlier, Giancarlo Cappellini
First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules. The journal of physical chemistry. A (2023)
Joe Willis, Romain Claes, Qi Zhou, Matteo Giantomassi, Gian Marco Rignanese, Geoffroy Hautier, David O Scanlon
Limits to Hole Mobility and Doping in Copper Iodide. Chemistry of materials : a publication of the American Chemical Society 35 (21) (2023)
Zhiqi Wang, Yutong Gong, Matthew L Evans, Yujing Yan, Shiyao Wang, Nanxi Miao, Ruiheng Zheng, Gian Marco Rignanese, Junjie Wang
Machine Learning-Accelerated Discovery of A 2 BC 2 Ternary Electrides with Diverse Anionic Electron Densities. Journal of the American Chemical Society (2023)
Brandon Faceira, Lionel Teule-Gay, Gian Marco Rignanese, Aline Rougier
Toward the Prediction of Electrochromic Properties of WO 3 Films: Combination of Experimental and Machine Learning Approaches. The journal of physical chemistry letters 13 (34) (2022)
Casper W Andersen, Rickard Armiento, Evgeny Blokhin, Gareth J Conduit, Shyam S Dwaraknath, Matthew L Evans, Ádám Fekete, Abhijith Gopakumar, Saulius Gražulis, Andrius Merkys, Fawzi Mohamed, Corey Oses, Giovanni Pizzi, Gian Marco Rignanese, Markus Scheidgen, Leopold Talirz, Cormac Toher, Donald Winston, Rossella Aversa, Kamal Choudhary, Pauline Colinet, Stefano Curtarolo, Davide Di Stefano, Claudia Draxl, Süleyman Er, Marco Esters, Marco Fornari, Matteo Giantomassi, Marco Govoni, Geoffroy Hautier, Vinay Hegde, Matthew K Horton, Patrick Huck, Georg Huhs, Jens Hummelshøj, Ankit Kariryaa, Boris Kozinsky, Snehal Kumbhar, Mohan Liu, Nicola Marzari, Andrew J Morris, Arash A Mostofi, Kristin A Persson, Guido Petretto, Thomas Purcell, Francesco Ricci, Frisco Rose, Matthias Scheffler, Daniel Speckhard, Martin Uhrin, Antanas Vaitkus, Pierre Villars, David Waroquiers, Chris Wolverton, Michael Wu, Xiaoyu Yang
OPTIMADE, an API for exchanging materials data. Scientific data 8 (1) (2021)
Gang Wan, John W Freeland, Jan Kloppenburg, Guido Petretto, Jocienne N Nelson, Ding-Yuan Kuo, Cheng-Jun Sun, Jianguo Wen, J Trey Diulus, Gregory S Herman, Yongqi Dong, Ronghui Kou, Jingying Sun, Shuo Chen, Kyle M Shen, Darrell G Schlom, Gian Marco Rignanese, Geoffroy Hautier, Dillon D Fong, Zhenxing Feng, Hua Zhou, Jin Suntivich
Amorphization mechanism of SrIrO3 electrocatalyst: How oxygen redox initiates ionic diffusion and structural reorganization. Science advances 7 (2) (2021)
Pierre-Paul De Breuck, Matthew L Evans, Gian Marco Rignanese
Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet. Journal of physics. Condensed matter : an Institute of Physics journal 33 (40) (2021)
Christopher J Perez, Maxwell Wood, Francesco Ricci, Guodong Yu, Trinh Vo, Sabah K Bux, Geoffroy Hautier, Gian Marco Rignanese, Gerald Jeffrey Snyder, Susan M Kauzlarich
Discovery of multivalley Fermi surface responsible for the high thermoelectric performance in Yb14MnSb11 and Yb14MgSb11. Science advances 7 (4) (2021)
Janine George, David Waroquiers, Davide Di Stefano, Guido Petretto, Gian Marco Rignanese, Geoffroy Hautier
The Limited Predictive Power of the Pauling Rules. Angewandte Chemie (International ed. in English) 59 (19) (2020)
David Waroquiers, Janine George, Matthew K Horton, Stephan Schenk, Kristin Aslaug Persson, Gian Marco Rignanese, Xavier Gonze, Geoffroy Hautier
ChemEnv: a fast and robust coordination environment identification tool. Acta crystallographica Section B, Structural science, crystal engineering and materials 76 (Pt 4) (2020)
Xiaotong Liu, Tianfu Zhang, Tao Yang, Xiulei Liu, Xin Song, Yong Yang, Ning Li, Gian Marco Rignanese, Yongwang Li, Xiao-Dong Wen
Solving Chemistry Problems via an End-to-End Approach: A Proof of Concept. The journal of physical chemistry. A 124 (42) (2020)
Guido Petretto, Shyam Dwaraknath, Henrique P C Miranda, Donald Winston, Matteo Giantomassi, Michiel J van Setten, Xavier Gonze, Kristin A Persson, Geoffroy Hautier, Gian Marco Rignanese
High-throughput density-functional perturbation theory phonons for inorganic materials. Scientific data 5 (2018)
Alireza Faghaninia, Guodong Yu, Umut Aydemir, Max Wood, Wei Chen, Gian Marco Rignanese, G Jeffrey Snyder, Geoffroy Hautier, Anubhav Jain
A computational assessment of the electronic, thermoelectric, and defect properties of bournonite (CuPbSbS3) and related substitutions. Physical chemistry chemical physics : PCCP 19 (9) (2018)
Francesco Ricci, Wei Chen, Umut Aydemir, G Jeffrey Snyder, Gian Marco Rignanese, Anubhav Jain, Geoffroy Hautier
An ab initio electronic transport database for inorganic materials. Scientific data 4 (2017)