DESIRED

作品数：182被引量：175H指数：7
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Na in diamond:high spin defects revealed by the ADAQ high-throughput computational database
《npj Computational Materials》2024年第1期2134-2142,共9页Joel Davidsson William Stenlund Abhijith S.Parackal Rickard Armiento Igor A.Abrikosov 
We acknowledge support from the Knut and Alice Wallenberg Foundation(Grant no.2018.0071);Support from the Swedish Government Strategic Research Area Swedish e-science Research Centre(SeRC)and the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University(Faculty Grant SFO-Mat-LiU No.200900971)are gratefully acknowledged;supported by the Knut and Alice Wallenberg Foundation through the Wallenberg Centre for Quantum Technology(WACQT);J.D.and R.A.acknowledge support from the Swedish Research Council(VR)Grant no.2022-00276 and 2020-05402,respectively;The computations were enabled by resources provided by the National Academic Infrastructure for Supercomputing in Sweden(NAISS)and the Swedish National Infrastructure for Computing(SNIC)at NSC,partially funded by the Swedish Research Council through grant agreement nos.2022-06725 and no.2018-05973.
Color centers in diamond are at the forefront of the second quantum revolution.A handful of defects are in use,and finding ones with all the desired properties for quantum applications is arduous.By using high-through...
关键词：quantum IMPLANTATION DESIRED 
Rotational magnetoelectric switching in orthorhombic multiferroics
《npj Computational Materials》2024年第1期2505-2511,共7页Xu Li Hao Tian Lan Chen Hongjun Xiang Jun-Ming Liu L.Bellaiche Di Wu Yurong Yang 
the National Key R&D Program of China(Grants No.2022YFB3807601 and No.2020YFA0711504);the National Natural Science Foundation of China(Grants No.12274201,No.51721001,No.12104416,and No.52232001);L.B.thanks the Office of Naval Research(Grant No.N00014-21-1-2086);the Vannevar Bush Faculty Fellowship(VBFF)Grant No.N00014-20-1-2834 from the Department of Defense;is thankful for support from the MonArk Quantum Foundry supported by the National Science Foundation Q-AMASE-i program under NSF Award No.DMR-1906383.
Controlling the direction of ferromagnetism and antiferromagnetism by an electric field in single-phase multiferroics will open the door to the next generation of devices for spintronics and electronics.The typical ma...
关键词：ORTHORHOMBIC MAGNETO DESIRED 
Analyzing machine learning models to accelerate generation of fundamental materials insights被引量：10
《npj Computational Materials》2019年第1期858-866,共9页Mitsutaro Umehara Helge S.Stein Dan Guevarra Paul F.Newhouse David A.Boyd John M.Gregoire 
This study is based upon work performed by the Joint Center for Artificial Photosynthesis,a DOE Energy Innovation Hub,supported through the Office of Science of the U.S.Department of Energy(Award No.DE-SC0004993).
Machine learning for materials science envisions the acceleration of basic science research through automated identification of key data relationships to augment human interpretation and gain scientific understanding....
关键词：NEURAL prediction DESIRED 
A high-throughput data analysis and materials discovery tool for strongly correlated materials被引量：3
《npj Computational Materials》2018年第1期138-146,共9页Hasnain Hafiz Adnan Ibne Khair Hongchul Choi Abdullah Mueen Arun Bansil Stephan Eidenbenz John Wills Jian-Xin Zhu Alexander V.Balatsky Towfiq Ahmed 
This work is supported by the Institute for Materials Sciences(IMS),NSEC at LANL and by the U.S.D.O.E at LANL under Project No.20170680ER(T.A.)through the LANL LDRD program.Work at LANL was supported in part by U.S.DOE Basic Energy Sciences Core Program LANL E3B5(J.-X.Z.and A.V.B.);The work at Northeastern University is supported by the US Department of Energy,Office of Science,Basic Energy Sciences grant number DE-FG02-07ER46352;benefitted from Northeastern University’s Advanced Scientific Computation Center(ASCC)and the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231.
Modeling of f-electron systems is challenging due to the complex interplay of the effects of spin–orbit coupling,electron–electron interactions,and the hybridization of the localized f-electrons with itinerant condu...
关键词：database DESIRED conduction 
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