Zobrazeno 1 - 10
of 215
pro vyhledávání: '"Ganesh, Panchapakesan"'
Autor:
Chen, Jihua, Yuan, Yue, Ziabari, Amir Koushyar, Xu, Xuan, Zhang, Honghai, Christakopoulos, Panagiotis, Bonnesen, Peter V., Ivanov, Ilia N., Ganesh, Panchapakesan, Wang, Chen, Jaimes, Karen Patino, Yang, Guang, Kumar, Rajeev, Sumpter, Bobby G., Advincula, Rigoberto
Artificial Intelligence (AI) approaches are increasingly being applied to more and more domains of Science, Engineering, Chemistry, and Industries to not only improve efficiencies and enhance productivity, but also enable new capabilities. The new op
Externí odkaz:
http://arxiv.org/abs/2405.01520
We propose an improved twist-averaging scheme for quantum Monte Carlo methods that use converged Kohn-Sham or Hartree-Fock orbitals as the reference. This twist-averaging technique is tailored to sample the Brillouin zone of magnetic metals, although
Externí odkaz:
http://arxiv.org/abs/2401.06926
Autor:
Zhou, Haihan, Kincaid, Benjamin, Wang, Guangming, Annaberdiyev, Abdulgani, Ganesh, Panchapakesan, Mitas, Lubos
We construct correlation-consistent effective core potentials (ccECPs) for a selected set of heavy atoms and f-elements that are of significant current interest in materials and chemical applications, including Y, Zr, Nb, Rh, Ta, Re, Pt, Gd, and Tb.
Externí odkaz:
http://arxiv.org/abs/2309.12145
The ability to manipulate electronic spin channels in 2D materials is crucial for realizing next-generation spintronics. Spin filters are spintronic components that polarize spins using external fields or material properties like magnetism. Recently,
Externí odkaz:
http://arxiv.org/abs/2308.06415
Autor:
Brahlek, Matthew, Mazza, Alessandro R., Annaberdiyev, Abdulgani, Chilcote, Michael, Rimal, Gaurab, Halász, Gábor B., Pham, Anh, Pai, Yun-Yi, Krogel, Jaron T., Lapano, Jason, Lawrie, Benjamin J., Eres, Gyula, McChesney, Jessica, Prokscha, Thomas, Suter, Andreas, Oh, Seongshik, Freeland, John W., Cao, Yue, Gardner, Jason S., Salman, Zaher, Moore, Robert G., Ganesh, Panchapakesan, Ward, T. Zac
Publikováno v:
Nano Letters 23, 16, 7279-7287 (2023)
The current challenge to realizing continuously tunable magnetism lies in our inability to systematically change properties such as valence, spin, and orbital degrees of freedom as well as crystallographic geometry. Here, we demonstrate that ferromag
Externí odkaz:
http://arxiv.org/abs/2307.13490
Autor:
Choudhary, Kamal, Wines, Daniel, Li, Kangming, Garrity, Kevin F., Gupta, Vishu, Romero, Aldo H., Krogel, Jaron T., Saritas, Kayahan, Fuhr, Addis, Ganesh, Panchapakesan, Kent, Paul R. C., Yan, Keqiang, Lin, Yuchao, Ji, Shuiwang, Blaiszik, Ben, Reiser, Patrick, Friederich, Pascal, Agrawal, Ankit, Tiwary, Pratyush, Beyerle, Eric, Minch, Peter, Rhone, Trevor David, Takeuchi, Ichiro, Wexler, Robert B., Mannodi-Kanakkithodi, Arun, Ertekin, Elif, Mishra, Avanish, Mathew, Nithin, Baird, Sterling G., Wood, Mitchell, Rohskopf, Andrew Dale, Hattrick-Simpers, Jason, Wang, Shih-Han, Achenie, Luke E. K., Xin, Hongliang, Williams, Maureen, Biacchi, Adam J., Tavazza, Francesca
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leade
Externí odkaz:
http://arxiv.org/abs/2306.11688
We study the effect of stacking faults on the topological properties of the magnetic topological insulator MnBi$_{2}$Te$_{4}$ (MBT) using density functional theory calculations and the Hubbard $U$ being tuned with many-body diffusion Monte Carlo tech
Externí odkaz:
http://arxiv.org/abs/2305.09273
Developing methods to understand and control defect formation in nanomaterials offers a promising route for materials discovery. Monolayer MX2 phases represent a particularly compelling case for defect engineering of nanomaterials due to the large va
Externí odkaz:
http://arxiv.org/abs/2305.02917
Autor:
Annaberdiyev, Abdulgani, Mandal, Subhasish, Mitas, Lubos, Krogel, Jaron T., Ganesh, Panchapakesan
Publikováno v:
npj Quantum Mater. 8, 1-13 (2023)
A member of the RMn$_6$Sn$_6$ rare-earth family materials, TbMn$_6$Sn$_6$, recently showed experimental signatures of the realization of a quantum-limit Chern magnet. In this work, we use quantum Monte Carlo (QMC) and density functional theory with H
Externí odkaz:
http://arxiv.org/abs/2302.01903
Autor:
Shin, Hyeondeok, Ganesh, Panchapakesan, Kent, Paul R. C., Benali, Anouar, Bhattacharya, Anand, Lee, Ho Nyung, Heinonen, Olle, Krogel, Jaron T.
As the only semimetallic $d^{10}$-based delafossite, AgNiO$_2$ has received a great deal of attention due to both its unique semimetallicity and its antiferromagnetism in the NiO$_2$ layer that is coupled with a lattice distortion. In contrast, other
Externí odkaz:
http://arxiv.org/abs/2204.04572