[AI-Assisted] Add uncertainty-aware thermodynamic benchmark framework - #2632

Draft

EvenSol wants to merge 28 commits into

masterfrom

feature/thermodynamic-benchmark-h2-co2

Commits on Jul 27, 2026

Add thermodynamic benchmark framework
EvenSol
committed
a560c63
Add thermodynamic benchmark framework
EvenSol
committed
3d1f8f3
Add thermodynamic benchmark framework
EvenSol
committed
113a326
Add thermodynamic benchmark framework
EvenSol
committed
b5099af
Add thermodynamic benchmark framework
EvenSol
committed
522386d
Add thermodynamic benchmark framework
EvenSol
committed
b745899
Document thermodynamic benchmark framework
EvenSol
committed
54f5e4e
Apply repository Spotless formatting
EvenSol
committed
8df82b4
Apply repository Spotless formatting
EvenSol
committed
c0ddf80
Apply repository Spotless formatting
EvenSol
committed
b4033c5
Apply repository Spotless formatting
EvenSol
committed
2e2916b
Exercise bounded kij calibration
EvenSol
committed
5095edb
Add bounded binary interaction parameter fitter
EvenSol
committed
39fbe2f
Support custom H2-CO2 kij in cubic benchmark adapter
EvenSol
committed
806158b
Format and bound H2-CO2 kij calibration
EvenSol
committed
97e6881
Format and bound H2-CO2 kij calibration
EvenSol
committed
95c5438
Format and bound H2-CO2 kij calibration
EvenSol
committed
56a2b70
Run focused temporary H2-CO2 kij calibration
EvenSol
committed
5d0b635
Expand H2-CO2 kij calibration bounds
EvenSol
committed
069d0a4
Calibrate on binary and validate on ternary H2-CO2 data
EvenSol
committed
439c4ef
Compare fitted and database H2-CO2 kij
EvenSol
committed
181a9a4
Replace calibration diagnostic with stable kij tests
EvenSol
committed
788e829
Document H2-CO2 kij fit and validation
EvenSol
committed
712e093
Remove temporary kij calibration workflow
EvenSol
committed
6f3acf5
Validate benchmark state and uncertainty inputs
EvenSol
committed
8c40fef
Reject unknown benchmark property tokens
EvenSol
committed
a7cb61b
Test benchmark input validation
EvenSol
committed
84edd9d
Apply authoritative Spotless formatting
EvenSol
committed
78c0765

Navigation Menu

Uh oh!

[AI-Assisted] Add uncertainty-aware thermodynamic benchmark framework - #2632

[AI-Assisted] Add uncertainty-aware thermodynamic benchmark framework#2632
EvenSol wants to merge 28 commits into
masterfrom
feature/thermodynamic-benchmark-h2-co2

Commits on Jul 27, 2026

Add thermodynamic benchmark framework

Add thermodynamic benchmark framework

Add thermodynamic benchmark framework

Add thermodynamic benchmark framework

Add thermodynamic benchmark framework

Add thermodynamic benchmark framework

Document thermodynamic benchmark framework

Apply repository Spotless formatting

Apply repository Spotless formatting

Apply repository Spotless formatting

Apply repository Spotless formatting

Exercise bounded kij calibration

Add bounded binary interaction parameter fitter

Support custom H2-CO2 kij in cubic benchmark adapter

Format and bound H2-CO2 kij calibration

Format and bound H2-CO2 kij calibration

Format and bound H2-CO2 kij calibration

Run focused temporary H2-CO2 kij calibration

Expand H2-CO2 kij calibration bounds

Calibrate on binary and validate on ternary H2-CO2 data

Compare fitted and database H2-CO2 kij

Replace calibration diagnostic with stable kij tests

Document H2-CO2 kij fit and validation

Remove temporary kij calibration workflow

Validate benchmark state and uncertainty inputs

Reject unknown benchmark property tokens

Test benchmark input validation

Apply authoritative Spotless formatting