|
About the Chemistry category
|
|
0
|
783
|
December 4, 2020
|
|
How to get dipole moments for a molecule in Atomic Orbital basis within the Julia ecosystem?
|
|
1
|
184
|
July 6, 2025
|
|
Time-plotting the derivative of a species (reaction velocity) in catalyst
|
|
1
|
110
|
June 16, 2025
|
|
Using Catalyst ODEproblem and algebraic equations
|
|
4
|
121
|
April 25, 2025
|
|
Time dependent inputs to reaction network in Catalyst
|
|
5
|
218
|
February 11, 2025
|
|
JuliaMolSim community
|
|
0
|
179
|
January 29, 2025
|
|
How to solve the non linear Coupled Cluster equations using Inexact Newton with DIIS?
|
|
1
|
199
|
June 16, 2024
|
|
Zero Order Extinction Reaction
|
|
21
|
819
|
March 27, 2024
|
|
@unpack from Catalyst reaction system and unused variables
|
|
9
|
317
|
February 26, 2024
|
|
Failed to use OpenSmiles
|
|
0
|
190
|
January 29, 2024
|
|
Combining Catalyst DSL models and ModelingToolkit explicit ODE models
|
|
18
|
1394
|
November 28, 2023
|
|
AIP has a call for papers for software in Chemical Physics
|
|
1
|
278
|
October 17, 2023
|
|
Calling Cantera using PyCall from within DifferentialEquations function
|
|
2
|
442
|
October 14, 2023
|
|
Any crystallography and material structure package suggestions?
|
|
7
|
1222
|
July 18, 2023
|
|
ElementaryChemistry.jl
|
|
3
|
730
|
January 30, 2023
|
|
Computing titration curves
|
|
12
|
1647
|
December 11, 2022
|
|
CAS Common Chemistry
|
|
3
|
1200
|
October 1, 2022
|
|
How to convert a molecule(s) to bitvector to matrix
|
|
7
|
449
|
September 24, 2022
|
|
How to model a chemical reaction network with changing parameters? (Catalyst.jl)
|
|
5
|
956
|
April 14, 2022
|
|
Is there a direct link function for chemical process simulator like Aspen plus in Julia like in Matlab or python through COM technology?
|
|
4
|
753
|
April 7, 2022
|
|
How to convert a String to a Reaction/ReactionSystem type (Catalyst.jl)?
|
|
1
|
778
|
January 29, 2022
|
|
How does ModelingToolkit substitute the u0map?
|
|
2
|
641
|
December 7, 2021
|
|
Solving chemical systems of equations with both equilibrium and kinetic species
|
|
1
|
1124
|
September 25, 2021
|
|
Constraints in Catalyst.jl for weak acids and pH equilibrium
|
|
2
|
1090
|
September 12, 2021
|
|
Error when calculating RHS of reaction ode "no method matching Float64(::Num)"
|
|
4
|
780
|
July 10, 2021
|
|
Rdkit in Julia
|
|
0
|
1470
|
May 5, 2021
|
|
Trying to use textbook with ChemEquations.jl package
|
|
2
|
985
|
February 17, 2021
|
|
Brusselator and Catalyst
|
|
3
|
818
|
January 30, 2021
|
|
Chemfiles -- contains
|
|
2
|
614
|
January 17, 2021
|
|
Packages used to create animated reaction systems
|
|
2
|
776
|
December 31, 2020
|