High-performance and differentiation-enabled nonlinear solvers (Newton methods), bracketed rootfinding (bisection, Falsi), with sparsity and Newton-Krylov support.
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Updated
May 20, 2024 - Julia
High-performance and differentiation-enabled nonlinear solvers (Newton methods), bracketed rootfinding (bisection, Falsi), with sparsity and Newton-Krylov support.
Computational library for chemical thermodynamics and phase equilibrium calculation. Multiphysics and standalone estimations of chemical state and constitutive and transport properties.
Visualizing the Equilibrium and Kinetics of Protein-Ligand Binding and Competitive Binding
Python implementation of the multistate Bennett acceptance ratio (MBAR)
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling catalytic reactors has never been so easy.
Computation of dynamic selfish flows using predicted travel times
Measuring the invisible: exploiting a two-substrate two-product equilibrium to determine the decomposition rate of one of the products
When determining equilibrium constants of multi-substrate / multi-product reactions, their ratios affect the uncertainty of the result.
Modern Fixed Point Systems using Pytorch
SRK Flash equilibrium solver with matlab/python codes
provides a modeling interface for mixed complementarity problems (MCP) and math programs with equilibrium problems (MPEC) via JuMP
Computation of complex chemical equilibria of perfect gases and pure condensed species in order to characterize rocket motor performance. This software intends to be a replacement for the highly useful propep while allowing more flexibility. Original author: Antoine Lefebvre
A VR shooting game made in Unity (An Equilibrium movie style)
Trabajo final de Investigacion Operativa II - UCASAL
methanol+1-octanol VLE
Chaos-based application of a novel no-equilibrium chaotic system with coexisting attractors
Script to visualize a 2D or 3D truss, calculate stresses and FOS, analyze material costs, then display the stresses and print out the truss's data. Preloaded with model truss balsa wood pieces.
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