Python implementation of the multistate Bennett acceptance ratio (MBAR)
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Updated
Sep 30, 2024 - Python
Python implementation of the multistate Bennett acceptance ratio (MBAR)
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.
provides a modeling interface for mixed complementarity problems (MCP) and math programs with equilibrium problems (MPEC) via JuMP
PorousMediaLab - toolbox for batch and 1D reactive transport modelling
Modern Fixed Point Systems using Pytorch
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.
Source files of Helbreath v3.82 (client + server) from the Equilibrium Project.
My thesis code for the Computer Engineering Master in NTUA
ASALI is an open-source software for solving gas thermodynamic and transport properties, catalytic reactors and chemical equilibrium calculations.
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
Physical properties calculation using EOS and correlations
This is a list of my published works. For more details check my Google Scholar profile.
Monetary policy trade‐offs with a dominant oil producer (JMCB, 2010)
MATLAB script that simulates electric equilibrium potential in a region of space that does not contain any electric charge, using Jacobi relaxation method, in 2D and 3D
In (discrete) Colonel Blotto game, a special strategy is proposed and proved to be an approximate equilibrium. The following numerical experiments are used to evaluate the approximation error in using this strategy.
methanol+1-octanol VLE
Strategy and equilibria toolkit
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