Adiabatic and nonadiabatic dynamics with interacting quantum trajectories
L Dupuy, F Talotta, F Agostini… - Journal of Chemical …, 2022 - ACS Publications
We present a quantum dynamics method based on the propagation of interacting quantum
trajectories to describe both adiabatic and nonadiabatic processes within the same …
trajectories to describe both adiabatic and nonadiabatic processes within the same …
Algorithm 1031: MQSI—Monotone Quintic Spline Interpolation
MQSI is a Fortran 2003 subroutine for constructing monotone quintic spline interpolants to
univariate monotone data. Using sharp theoretical monotonicity constraints, first and second …
univariate monotone data. Using sharp theoretical monotonicity constraints, first and second …
Algorithm 1041: HiPPIS—A High-order Positivity-preserving Mapping Software for Structured Meshes
Polynomial interpolation is an important component of many computational problems. In
several of these computational problems, failure to preserve positivity when using …
several of these computational problems, failure to preserve positivity when using …
ENO-based high-order data-bounded and constrained positivity-preserving interpolation
A number of key scientific computing applications that are based upon tensor-product grid
constructions, such as numerical weather prediction (NWP) and combustion simulations …
constructions, such as numerical weather prediction (NWP) and combustion simulations …
Algorithm xxxx: HiPPIS A High-Order Positivity-Preserving Mapping Software for Structured Meshes
Polynomial interpolation is an important component of many computational problems. In
several of these computational problems, failure to preserve positivity when using …
several of these computational problems, failure to preserve positivity when using …
Numerical testing of a new positivity-preserving interpolation algorithm
An important component of a number of computational modeling algorithms is an
interpolation method that preserves the positivity of the function being interpolated. This …
interpolation method that preserves the positivity of the function being interpolated. This …
Contributions à la modélisation théorique et numérique de l'effet tunnel dans des systèmes complexes et application à la réactivité chimique
L Dupuy - 2022 - theses.hal.science
Dans cette thèse, nous présentons des développements méthodologiques visant à simuler
la dynamique quantique réactionnelle de systèmes complexes. Les sources de complexité …
la dynamique quantique réactionnelle de systèmes complexes. Les sources de complexité …
Accelerating Physics Schemes in Numerical Weather Prediction Codes and Preserving Positivity in the Physics-Dynamics Coupling
TAJ Ouermi - 2022 - search.proquest.com
Accurate forecasts have a direct impact on how we prepare for different weather events at
personal, regional, and global levels. Many of the current numerical weather prediction …
personal, regional, and global levels. Many of the current numerical weather prediction …
Interpolants, Error Bounds, and Mathematical Software for Modeling and Predicting Variability in Computer Systems
TCH Lux - 2020 - vtechworks.lib.vt.edu
Function approximation is an important problem. This work presents applications of
interpolants to modeling random variables. Specifically, this work studies the prediction of …
interpolants to modeling random variables. Specifically, this work studies the prediction of …
Effective nonparametric distribution modeling for distribution approximation applications
Many fields of science rely on the collection of samples and estimation of true population
distributions from those samples. There are several effective nonparametric methods for …
distributions from those samples. There are several effective nonparametric methods for …