Zobrazeno 1 - 10
of 89
pro vyhledávání: '"Reis, Roberto dos"'
Autor:
Casares, Pablo A. M., Baker, Jack S., Medvidovic, Matija, Reis, Roberto dos, Arrazola, Juan Miguel
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with st
Externí odkaz:
http://arxiv.org/abs/2309.15127
Autor:
San, Xingyuan, Hu, Junwei, Chen, Mingyi, Niu, Haiyang, Smeets, Paul J. M., Deng, Jie, Koo, Kunmo, Reis, Roberto dos, Dravid, Vinayak P., Hu, Xiaobing
Calcium carbonate (CaCO3), the most abundant biogenic mineral on earth, plays a crucial role in various fields. Of the four polymorphs, calcite, aragonite, vaterite, and amorphous CaCO3, vaterite is the most enigmatic one due to an ongoing debate reg
Externí odkaz:
http://arxiv.org/abs/2306.08228
Autor:
Ribet, Stephanie M., Zeltmann, Steven E., Bustillo, Karen C., Dhall, Rohan, Denes, Peter, Minor, Andrew M., Reis, Roberto dos, Dravid, Vinayak P., Ophus, Colin
In a scanning transmission electron microscope (STEM), producing a high-resolution image generally requires an electron beam focused to the smallest point possible. However, the magnetic lenses used to focus the beam are unavoidably imperfect, introd
Externí odkaz:
http://arxiv.org/abs/2303.09693
Autor:
Zini, Modjtaba Shokrian, Delgado, Alain, Reis, Roberto dos, Casares, Pablo A. M., Mueller, Jonathan E., Voigt, Arne-Christian, Arrazola, Juan Miguel
Publikováno v:
Quantum 7, 1049 (2023)
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves needed to
Externí odkaz:
http://arxiv.org/abs/2302.07981
Publikováno v:
Microscopy and Microanalysis, 2023
Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction patterns
Externí odkaz:
http://arxiv.org/abs/2211.06511
Autor:
Delgado, Alain, Casares, Pablo A. M., Reis, Roberto dos, Zini, Modjtaba Shokrian, Campos, Roberto, Cruz-Hernández, Norge, Voigt, Arne-Christian, Lowe, Angus, Jahangiri, Soran, Martin-Delgado, M. A., Mueller, Jonathan E., Arrazola, Juan Miguel
Publikováno v:
Phys. Rev. A 106, 032428 (2022)
There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can sometimes fall
Externí odkaz:
http://arxiv.org/abs/2204.11890
Autor:
Murthy, Akshay A., Das, Paul Masih, Ribet, Stephanie M., Kopas, Cameron, Lee, Jaeyel, Reagor, Matthew J., Zhou, Lin, Kramer, Matthew J., Hersam, Mark C., Checchin, Mattia, Grassellino, Anna, Reis, Roberto dos, Dravid, Vinayak P., Romanenko, Alexander
Superconducting thin films of niobium have been extensively employed in transmon qubit architectures. Although these architectures have demonstrated remarkable improvements in recent years, further improvements in performance through materials engine
Externí odkaz:
http://arxiv.org/abs/2203.08710
Autor:
Murthy, Akshay A., Ribet, Stephanie M., Stanev, Teodor K., Liu, Pufan, Watanabe, Kenji, Taniguchi, Takashi, Stern, Nathaniel P., Reis, Roberto dos, Dravid, Vinayak P.
In situ electron microscopy is a key tool for understanding the mechanisms driving novel phenomena in 2D structures. Unfortunately, due to various practical challenges, technologically relevant 2D heterostructures prove challenging to address with el
Externí odkaz:
http://arxiv.org/abs/2012.13842
Autor:
M. Casares, Pablo A., Baker, Jack S., Medvidović, Matija, Reis, Roberto dos, Arrazola, Juan Miguel
Publikováno v:
Journal of Chemical Physics; 2/14/2024, Vol. 160 Issue 6, p1-17, 17p
Autor:
DiStefano, Jennifer G., Murthy, Akshay A., Lescott, Chamille J., Reis, Roberto dos, Li, Yuan, Dravid, Vinayak P.
For years, solution processing has provided a versatile platform to extend the applications of transition metal dichalcogenides (TMDs) beyond those achievable with traditional preparation methods. However, existing solution-based synthesis and exfoli
Externí odkaz:
http://arxiv.org/abs/1911.11712