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Systematic Improvement of DMC Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gaps
Shin, Hyeondeok;
Gasperich, Kevin;
Rojas, Tomas;
Ngo, Anh T.;
Krogel, Jaron T.;
Benali, Anouar
Data corresponding to the publication 'The limited predictive power of the Pauling Rules'
George, Janine;
Waroquiers, David;
Di Stefano, Davide;
Petretto, Guido;
Rignanese, Gian-Marco;
Hautier, Geoffroy
Identifying native point defect configurations in α-alumina
Kononov, Alina;
Lee, Cheng-Wei;
Shapera, Ethan;
Schleife, Andre
First-principles investigation of phase stability in layered NaxCrO2
Kaufman, Jonas L.;
Van der Ven, Anton
Dataset for SiO2 polymorphs using metaGGA functional
Manna, Sukriti;
Sankaranarayanan, Subramanian KRS;
Darancet, Pierre
Key properties of inorganic thermoelectric materials tables
Freer, Robert;
Ekren, Dursun;
Ghosh, Tanmoy;
Biswas, Kanishka;
Qiu, Pengfei;
Wan, Shun;
Chen, Lidong;
Han, Shen;
Fu, Chenguang;
Zhu, Tiejun;
Shawon, A K M Ashiquzzaman;
Zevalkink, Alexandra;
Imasato, Kazuki;
Snyder, G. Jeffrey;
Ozen, Melis;
Saglik, Kivanc;
Aydemir, Umut;
Cardoso-Gil, Raúl;
Svanidze, E;
Funahashi, Ryoji;
Powell, Anthony V;
Mukherjee, Shriparna;
Tippireddy, Sahil;
Vaqueiro, Paz;
Gascoin, Franck;
Kyratsi, Theodora;
Sauerschnig, Philipp;
Mori, Takao
Neutron Structure Factor of Glassy Silica and Jade Glass
Shi, Ying;
Neuefeind, Jörg;
Bauchy, Mathieu;
Zhou, Qi;
Deng, Binghui
Ordering and structural transformations in layered KxCrO2 for K-ion batteries
Kaufman, Jonas L.;
Van der Ven, Anton
Data for "Denoising Atomic Resolution 4D Scanning Transmission Electron Microscopy Data with Tensor Singular Value Decomposition"
Zhang, Chenyu;
Han, Rungang;
Zhang, Anru;
Voyles, Paul M.
Dataset for the paper "Local structure of potassium doped nickel oxide: a combined experimental-theoretical study"
Wrobel, Friederike;
Shin, Hyeondeok;
Sterbinsky, George E.;
Hsiao, Haw-Wen;
Zuo, Jian-Min;
Ganesh, Panchapakesan;
Krogel, Jaron T.;
Benali, Anouar;
Kent, Paul R.C.;
Heinonen, Olle;
Bhattacharya, Anand