Comparison of algorithms in two cases. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

Flow of the NSGA-II algorithm. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

ADT: A Generalized Algorithm and Program for Beyond Born–Oppenheimer Equations of “<i>N</i>” Dimensional Sub-Hilbert Space حسب Koushik Naskar (7510592)

"…The “ADT” program can be efficiently used to (a) formulate analytic functional forms of differential equations for ADT angles and diabatic potential energy matrix and (b) solve the set of coupled differential equations numerically to evaluate ADT angles, residue due to singularity­(ies), ADT matrices, and finally, diabatic potential energy surfaces (PESs). …"

Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems حسب Giovanni Li Manni (7450865)

"…The wave function compression resulting from this approach is particularly attractive for antiferromagnetically coupled polynuclear spin systems, such as transition-metal cubanes in biocatalysis, and Mott and charge-transfer insulators in solid-state physics. …"

A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data حسب Anthony S. Barente (14035175)

الموضوعات:

<i>Ab Initio</i> Computation of Rotationally-Averaged Pump–Probe X‑ray and Electron Diffraction Signals حسب Robert M. Parrish (1703710)

الموضوعات:

Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements حسب Pascal Wang (10130612)

"…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …"

BOFdat: Generating biomass objective functions for genome-scale metabolic models from experimental data حسب Jean-Christophe Lachance (6619307)

"…Despite its importance, no standardized computational platform is currently available to generate species-specific biomass objective functions in a data-driven, unbiased fashion. To fill this gap in the metabolic modeling software ecosystem, we implemented BOFdat, a Python package for the definition of a <b>B</b>iomass <b>O</b>bjective <b>F</b>unction from experimental <b>dat</b>a. …"

EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit حسب Gonzalo Colmenarejo (650249)

"…In this paper, a new RDKit/Python implementation of the algorithm is described, that is both accurate and complete. …"

The schematic view of the Radial Basis Function (RBF) algorithm. حسب Mohsen Yoosefzadeh-Najafabadi (6917399)

Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller–Plesset Perturbat... حسب Joonho Lee (1351974)

الموضوعات:

Implementation algorithm. حسب Michael A. Colman (7163735)

The optimal solution set of NYN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

The optimal solution set of HN by using different algorithms. حسب Yi Tao (178829)

الموضوعات: "…evolutionary genetic algorithm…"

Search Algorithms and Loss Functions for Bayesian Clustering حسب David B. Dahl (11761055)

Meta data for selected plots of "Optimal sampling of tensor networks targeting wave function’s fast decaying tails" حسب Marco Ballarin (17780767)

Interpretation of Phase Boundary Fluctuation Spectra in Biological Membranes with Nanoscale Organization حسب Sahithya S. Iyer (8604096)

الموضوعات:

Interpretation of Phase Boundary Fluctuation Spectra in Biological Membranes with Nanoscale Organization حسب Sahithya S. Iyer (8604096)

الموضوعات:

Interpretation of Phase Boundary Fluctuation Spectra in Biological Membranes with Nanoscale Organization حسب Sahithya S. Iyer (8604096)

الموضوعات:

Interpretation of Phase Boundary Fluctuation Spectra in Biological Membranes with Nanoscale Organization حسب Sahithya S. Iyer (8604096)

الموضوعات: