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pro vyhledávání: '"Thomas, John"'
Autor:
Baird, Thomas John
Let $S$ be a smooth, quasi-projective complex surface with complex symplectic form $\omega \in H^0(S, K_S)$. This determines a symplectic form $\omega_n$ on the Hilbert scheme of points $S^{[n]}$ for $n \geq 1$. Let $\tau$ be an anti-symplectic invol
Externí odkaz:
http://arxiv.org/abs/2311.16287
Autor:
Thomas, John
Lithium is an increasingly important resource for electrification but current supply will not keep up with expected demand. Monovalent selective electrodialysis (MSED) offers a potential method to separate lithium from other elements from salt lake b
Externí odkaz:
https://hdl.handle.net/1721.1/150301
We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach relies on an extension of the alloy cluster expansion to include an exp
Externí odkaz:
http://arxiv.org/abs/2310.20085
Autor:
Thomas, John, Patwari, Jayita, Langguth, Inga, Penschke, Christopher, Zhou, Ping, Morgenstern, Karina, Bovensiepen, Uwe
Publikováno v:
J. Phys. Chem. C (2023)
Hydrogen bonding is essential in electron transfer processes at water-electrode interfaces. We study the impact of the H-bonding of water as a solvent molecule on real-time electron transfer dynamics across a Cs+-Cu(111) ion-metal interface using fem
Externí odkaz:
http://arxiv.org/abs/2310.00302
Monte Carlo techniques play a central role in statistical mechanics approaches for connecting macroscopic thermodynamic and kinetic properties to the electronic structure of a material. This paper describes the implementation of Monte Carlo technique
Externí odkaz:
http://arxiv.org/abs/2309.11761
Autor:
Thomas, John C., Chen, Wei, Xiong, Yihuang, Barker, Bradford A., Zhou, Junze, Chen, Weiru, Rossi, Antonio, Kelly, Nolan, Yu, Zhuohang, Zhou, Da, Kumari, Shalini, Barnard, Edward S., Robinson, Joshua A., Terrones, Mauricio, Schwartzberg, Adam, Ogletree, D. Frank, Rotenberg, Eli, Noack, Marcus M., Griffin, Sinéad, Raja, Archana, Strubbe, David A., Rignanese, Gian-Marco, Weber-Bargioni, Alexander, Hautier, Geoffroy
Point defects in two-dimensional materials are of key interest for quantum information science. However, the space of possible defects is immense, making the identification of high-performance quantum defects extremely challenging. Here, we perform h
Externí odkaz:
http://arxiv.org/abs/2309.08032