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Alicia Rae Welden
Researcher at Lawrence Livermore National Laboratory
Publications - 11
Citations - 449
Alicia Rae Welden is an academic researcher from Lawrence Livermore National Laboratory. The author has contributed to research in topics: Quantum dynamics & Helmholtz free energy. The author has an hindex of 6, co-authored 9 publications receiving 234 citations. Previous affiliations of Alicia Rae Welden include University of Michigan & Stevens Institute of Technology.
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Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean,Micael J. T. Oliveira,Xavier Andrade,Heiko Appel,Carlos H. Borca,Carlos H. Borca,Guillaume Le Breton,Florian Buchholz,Andrea Castro,Stefano Corni,Alfredo A. Correa,Umberto De Giovannini,Alain Delgado,F. G. Eich,Johannes Flick,Gabriel Gil,Adrián Gomez,Nicole Helbig,Hannes Hübener,René Jestädt,Joaquim Jornet-Somoza,Ask Hjorth Larsen,Irina V. Lebedeva,M. Lüders,Miguel A. L. Marques,Sebastian T. Ohlmann,Silvio Pipolo,Markus Rampp,Carlo Andrea Rozzi,David A. Strubbe,Shunsuke A. Sato,Shunsuke A. Sato,Christian Schäfer,Iris Theophilou,Alicia Rae Welden,Angel Rubio,Angel Rubio +36 more
TL;DR: The Octopus project as mentioned in this paper provides a unique framework that allows us to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory.
Journal ArticleDOI
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Nicolas Tancogne-Dejean,Micael J. T. Oliveira,Xavier Andrade,Heiko Appel,Carlos H. Borca,Carlos H. Borca,Guillaume Le Breton,Florian Buchholz,Andrea Castro,Stefano Corni,Alfredo A. Correa,Umberto De Giovannini,Alain Delgado,F. G. Eich,Johannes Flick,Gabriel Gil,Adrián Gomez,Nicole Helbig,Hannes Hübener,René Jestädt,Joaquim Jornet-Somoza,Ask Hjorth Larsen,Irina V. Lebedeva,M. Lüders,Miguel A. L. Marques,Sebastian T. Ohlmann,Silvio Pipolo,Markus Rampp,Carlo Andrea Rozzi,David A. Strubbe,Shunsuke A. Sato,Shunsuke A. Sato,Christian Schäfer,Iris Theophilou,Alicia Rae Welden,Angel Rubio,Angel Rubio +36 more
TL;DR: The major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light-matter hybrid states are described.
Journal ArticleDOI
Exploring connections between statistical mechanics and Green's functions for realistic systems: Temperature dependent electronic entropy and internal energy from a self-consistent second-order Green's function.
TL;DR: Self-consistently evaluate the thermodynamic quantities for a one-dimensional (1D) hydrogen solid at various interatomic separations and temperatures using the self-energy approximated to second-order (GF2) to shed some light onto the iterative nature of the Green's function solutions.
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Efficient Temperature-Dependent Green's Function Methods for Realistic Systems: Using Cubic Spline Interpolation to Approximate Matsubara Green's Functions.
TL;DR: It is demonstrated that with appropriate modifications the temperature dependence can be preserved while the Green's function grid size can be reduced by about 2 orders of magnitude by replacing the standard Matsubara frequency grid with a sparser grid and a set of interpolation coefficients.
Journal ArticleDOI
Modelling of forest stand dynamics using Markov chains
TL;DR: A Markov chain model for stage-structured dynamics of forest stands (patches) is developed and the upper bound of the probability of disaster for this Markov chains is estimated.