|
[ANN] WaveMixings.jl Nonlinear spectroscopy based on the doorway-window approximation
|
|
0
|
189
|
July 20, 2025
|
|
How to get dipole moments for a molecule in Atomic Orbital basis within the Julia ecosystem?
|
|
1
|
172
|
July 6, 2025
|
|
Shortest Path from contour plot?
|
|
3
|
109
|
October 24, 2024
|
|
Postdoc position in molecular dynamics simulations (Brazil)
|
|
0
|
178
|
September 3, 2024
|
|
How to decrease number of allocations when using NLSolve.jl?
|
|
8
|
313
|
June 4, 2024
|
|
How to employ nlsolve() to a function which has parameters which are difficult to calculate
|
|
3
|
432
|
June 4, 2024
|
|
Angular Momentum Commutators In Symbolics.jl
|
|
2
|
514
|
September 20, 2023
|
|
[ANN] Electrum.jl - a kit for building chemical theory tools
|
|
3
|
440
|
May 31, 2023
|
|
Fermi.jl: Quantum Chemistry in Julia
|
|
3
|
2294
|
January 29, 2023
|
|
[ANN] Jchemo.jl - A Julia package for Chemometrics
|
|
0
|
465
|
December 15, 2022
|
|
[ANN] Mendeleev.jl - accessing chemical elements data
|
|
34
|
1679
|
December 8, 2022
|
|
Interest in chemistry-focused BoF?
|
|
56
|
5168
|
July 27, 2021
|
|
Best way to export Catalyst models to SBML format
|
|
2
|
538
|
February 7, 2022
|
|
Links to Julia taught in Master Program Chemical Engineering
|
|
2
|
1136
|
January 23, 2022
|
|
[ANN] ComplexMixtures.jl: A package to study solute-solvent interactions of molecules of complex shape
|
|
5
|
926
|
November 23, 2021
|
|
Plotting Atomic Orbitals with Makie
|
|
4
|
1431
|
November 8, 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
|
1089
|
September 12, 2021
|
|
[ANN] Chemistry.jl
|
|
5
|
1228
|
June 26, 2021
|
|
ThermoState 0.4.5: specification of thermodynamic properties
|
|
6
|
1260
|
October 29, 2020
|
|
ANN: UnitfulMoles.jl
|
|
2
|
755
|
August 12, 2020
|
|
[ANN] DFTK.jl - A pure-Julia implementation of density-functional theory
|
|
7
|
3299
|
June 22, 2020
|