|
About the Chemistry category
|
|
0
|
781
|
December 4, 2020
|
|
How to get dipole moments for a molecule in Atomic Orbital basis within the Julia ecosystem?
|
|
1
|
172
|
July 6, 2025
|
|
Time-plotting the derivative of a species (reaction velocity) in catalyst
|
|
1
|
107
|
June 16, 2025
|
|
Using Catalyst ODEproblem and algebraic equations
|
|
4
|
116
|
April 25, 2025
|
|
Time dependent inputs to reaction network in Catalyst
|
|
5
|
211
|
February 11, 2025
|
|
JuliaMolSim community
|
|
0
|
173
|
January 29, 2025
|
|
How to solve the non linear Coupled Cluster equations using Inexact Newton with DIIS?
|
|
1
|
196
|
June 16, 2024
|
|
Zero Order Extinction Reaction
|
|
21
|
802
|
March 27, 2024
|
|
@unpack from Catalyst reaction system and unused variables
|
|
9
|
313
|
February 26, 2024
|
|
Failed to use OpenSmiles
|
|
0
|
189
|
January 29, 2024
|
|
Combining Catalyst DSL models and ModelingToolkit explicit ODE models
|
|
18
|
1381
|
November 28, 2023
|
|
AIP has a call for papers for software in Chemical Physics
|
|
1
|
274
|
October 17, 2023
|
|
Calling Cantera using PyCall from within DifferentialEquations function
|
|
2
|
436
|
October 14, 2023
|
|
Any crystallography and material structure package suggestions?
|
|
7
|
1212
|
July 18, 2023
|
|
ElementaryChemistry.jl
|
|
3
|
728
|
January 30, 2023
|
|
Computing titration curves
|
|
12
|
1637
|
December 11, 2022
|
|
CAS Common Chemistry
|
|
3
|
1195
|
October 1, 2022
|
|
How to convert a molecule(s) to bitvector to matrix
|
|
7
|
442
|
September 24, 2022
|
|
How to model a chemical reaction network with changing parameters? (Catalyst.jl)
|
|
5
|
953
|
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
|
750
|
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
|
639
|
December 7, 2021
|
|
Solving chemical systems of equations with both equilibrium and kinetic species
|
|
1
|
1121
|
September 25, 2021
|
|
Constraints in Catalyst.jl for weak acids and pH equilibrium
|
|
2
|
1088
|
September 12, 2021
|
|
Error when calculating RHS of reaction ode "no method matching Float64(::Num)"
|
|
4
|
779
|
July 10, 2021
|
|
Rdkit in Julia
|
|
0
|
1461
|
May 5, 2021
|
|
Trying to use textbook with ChemEquations.jl package
|
|
2
|
980
|
February 17, 2021
|
|
Brusselator and Catalyst
|
|
3
|
814
|
January 30, 2021
|
|
Chemfiles -- contains
|
|
2
|
611
|
January 17, 2021
|
|
Packages used to create animated reaction systems
|
|
2
|
775
|
December 31, 2020
|