Documentos de Alfredo A. Correa | REDI

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Objetivos de Desarrollo Sostenible: "ODS 4: Educación de calidad"

Subtipo de publicación

Conference Object(1)

Publisher

Journal of Chemical Physics(2)

Physical Review B(2)

Computational Materials Science(1)

Europhysics Letters(1)

High Energy Density Physics(1)

Área temáticas

Ciencias de la computación(5)

Electricidad y electrónica(5)

Física moderna(5)

Química física(3)

Área de conocimiento

Mecánica cuántica(6)

Ciencia de materiales(4)

Simulación por computadora(4)

Ciencias de la computación(1)

Objetivos de Desarrollo Sostenible

ODS 9: Industria, innovación e infraestructura(14)

ODS 17: Alianzas para lograr los objetivos(11)

ODS 12: Producción y consumo responsables(1)

ODS 7: Energía asequible y no contaminante(1)

ODS 8: Trabajo decente y crecimiento económico(1)

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Palabras Claves

Radiation effects(2)

2d materials(1)

Computation/computing(1)

Electronic stopping power(1)

First principles(1)

Calculating electronic stopping power in materials from first principles

Abstract: From the early models of electronic stopping power to the current first principles simulations, the

Palabras claves:

Electronic stopping power, First principles, Radiation effects, Time Dependent Density Functional Theory

Alfredo A. Correa

Adiabatic perturbation theory of electronic stopping in insulators

Abstract: A model able to explain the complicated structure of electronic stopping at low velocities in insula

Palabras claves:

Alfredo A. Correa, Foulkes W.M.C., Horsfield A.P., Lim A.

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Abstract: Abstract: Due to a beneficial balance of computational cost and accuracy, real-time time-dependent d

Palabras claves:

2d materials, Computation/computing, METAL, Quantum effects, Radiation effects, Semiconducting

Alfredo A. Correa, Andrade X., Baczewski A.D., Constantinescu E., dos Santos T.P., Kanai Y., Kononov A., Lee C.W., Modine N., Robinson B., Schleife A., Yao Y.

Electron-phonon thermalization in a scalable method for real-time quantum dynamics

Abstract: We present a quantum simulation method that follows the dynamics of out-of-equilibrium many-body sys

Palabras claves:

Alfredo A. Correa, Kohanoff J.J., Rizzi V., Todorov T.N.

Inq, a Modern GPU-Accelerated Computational Framework for (Time-Dependent) Density Functional Theory

Abstract: We present inq, a new implementation of density functional theory (DFT) and time-dependent DFT (TDDF

Palabras claves:

Alfredo A. Correa, Andrade X., Kartsev A., Lindenberg A., Ogitsu T., Pemmaraju C.D., Rajpurohit S., Tan L.Z., Xiao J.

Quantum corral wave-function engineering

Abstract: We present a theoretical method for the design and optimization of quantum corrals with specific ele

Palabras claves:

Alfredo A. Correa, Balseiro C., Reboredo F.

Mirages and enhanced magnetic interactions in quantum corrals

Abstract: We develop a theory for the interactions between magnetic impurities in nanoscopic systems. The case

Palabras claves:

Alfredo A. Correa, Balseiro C., Hallberg K.

Picosecond Single-Shot X-ray Absorption Spectroscopy for Warm and Dense Matter

Abstract: X-ray absorption spectroscopy (XAS) is a versatile technique for studying the electronic structure a

Palabras claves:

Alfredo A. Correa, Cho B.I., Engelhorn K., Falcone R.W., Feng J., Glover T., Heimann P.A., Hertlein M., Ogitsu T., Weber C.

Plane-wave pseudopotential implementation of explicit integrators for time-dependent Kohn-Sham equations in large-scale simulations

Abstract: Explicit integrators for real-time propagation of time-dependent Kohn-Sham equations are compared re

Palabras claves:

Alfredo A. Correa, Draeger E.W., Kanai Y., Schleife A.

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Abstract: Over the last few years, extraordinary advances in experimental and theoretical tools have allowed u

Palabras claves:

Alfredo A. Correa, Andrade X., Appel H., Borca C.H., Buchholz F., Castro A., Corni S., De Giovannini U., Delgado A., Eich F.G., Flick J., Gil G., Gomez A., Helbig N., Hübener H., Jestädt R., Jornet-Somoza J., Larsen A.H., Le Breton G., Lebedeva I.V., Lüders M., Marques M.A.L., Ohlmann S.T., Oliveira M.J.T., Pipolo S., Rampp M., Rozzi C.A., Rubio A., Sato S.A., Schäfer C., Strubbe D.A., Tancogne-Dejean N., Theophilou I., Welden A.