Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Patil, Urvesh"'
Machine-learning models can be trained to predict the converged electron charge density of a density functional theory (DFT) calculation. In general, the value of the density at a given point in space is invariant under global translations and rotati
Externí odkaz:
http://arxiv.org/abs/2408.08876
Autor:
Patil, Urvesh, Caffrey, Nuala M.
Liquid phase exfoliation (LPE) is the most promising method for the low-cost, scalable production of two-dimensional nanosheets from their bulk counterparts. Extensive exfoliation occurs in most solvents due to the huge amount of energy introduced by
Externí odkaz:
http://arxiv.org/abs/2310.17283
Kohn-Sham density functional theory (KS-DFT) is a powerful method to obtain key materials' properties, but the iterative solution of the KS equations is a numerically intensive task, which limits its application to complex systems. To address this is
Externí odkaz:
http://arxiv.org/abs/2301.13550
We introduce a compact cluster expansion method, constructed over Jacobi and Legendre polynomials, to generate highly accurate and flexible machine-learning force fields. The constituent many-body contributions are separated, interpretable and adapta
Externí odkaz:
http://arxiv.org/abs/2208.10292
Autor:
Patil, Urvesh, Caffrey, Nuala M.
Publikováno v:
Phys. Rev. B 100, 075424 (2019)
Materials exhibiting multiple stable phases can be used as functional components in electronic and optical applications if the phase transition is controllable. Group-VI transition metal dichalcogenides (TMDs, MX$_2$, where M=Mo, W and X = S, Se) are
Externí odkaz:
http://arxiv.org/abs/1901.02697
Autor:
Patil, Urvesh, Caffrey, Nuala M.
Solvents are an essential element in the production and processing of two-dimensional (2D) materials. For example, the liquid phase exfoliation of layered materials requires a solvent to prevent the resulting monolayers from re-aggregating, while sol
Externí odkaz:
http://arxiv.org/abs/1806.07843
Autor:
Patil, Urvesh, Muralidharan, Bhaskaran
The use of an asymmetric broadening in the transport distribution, a characteristic of resonant structures, is proposed as a route to engineer a decrease in electronic thermal conductivity thereby enhancing the electronic figure of merit in nanostruc
Externí odkaz:
http://arxiv.org/abs/1608.04463
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Patil, Urvesh, Muralidharan, Bhaskaran
Publikováno v:
In Physica E: Low-dimensional Systems and Nanostructures January 2017 85:27-33
Autor:
Patil, Urvesh, Caffrey, Nuala M.
Publikováno v:
Journal of Chemical Physics; 9/7/2018, Vol. 149 Issue 9, p1-8, 8p