CALPHAD 2026 — Monday, June 8, 2026

Day 1 of conference
Québec City Convention Centre
TimeActivityRoom
7:15–8:00BreakfastEspace Urbain
8:00–10:00
Fundamental Thermo Modelling – 1
Chairs: J.-M. Joubert & A. Jacob
  1. O1.1 A Unified Thermodynamic Framework: From Equilibrium and Nonequilibrium to Zentropy, Cross Phenomena, and… — Z.-K. Liu
  2. O1.2 Recursive entropy in thermodynamics: establishing the statistical-physics basis of the zentropy approach — L. Myers
  3. O1.3 Thermodynamic Entropy as Information - A compression-based demonstration of the Shannon—Boltzmann equiva… — D. Fisher
  4. O1.4 CALPHAD Coupled Integrated Computational Materials Engineering (ICME) Framework for Microstructure Evolu… — K. L. M. Elder
  5. O1.5 High-throughput calculation of eutectic compositions — K. E. Borowski
  6. O1.6 The Calfateria — N. Dupin
306AB
10:00-10:20Break — refreshmentsFoyer 306
10:20–12:00
CALPHAD Assisted Material Design of Metallic Systems – 1
Chairs: W. Xiong & R. Schmid-Fetzer
  1. O1.7 Development of Thermodynamic Databases Coupled to Alloy Design of Metallic Materials — K. Frisk
  2. O1.8 Model Development and Design of High Strength, High Toughness Naval Steels: 10Ni-150 — Y. N. Lee
  3. O1.9 CALPHAD-assisted design of high-performance titanium alloys and refractory materials for melting — H. Zhu
  4. O1.10 Constrained Target Function for Alloy Design — S. Chen
  5. O1.11 Revisiting the Fe-Mo System: Structural Investigation and Thermodynamic Modeling of Frank-Kasper Phases — A. Flores
306AB
12:00-13:30LunchEspace Urbain
13:30–15:30
Fundamental Thermo Modelling – 2
Chairs: N. Dupin & B. Bocklund
  1. O1.12 Optimization and Uncertainty Quantification of CALPHAD Model Parameters via the No-U-Turn Sampler — C. Kunselman
  2. O1.13 Efficient CALPHAD coupling of quasi-equilibrium thermodynamics using a hash-table-based extrapolation sc… — H. H. Y. Craven
  3. O1.14 Calphad assessment strategy and unexpected liquid miscibility gaps — R. Schmid-Fetzer
  4. O1.15 Comparison of different model equations for size- and shape-dependent integral and partial molar Gibbs e… — G. Kaptay
  5. O1.16 A modified Scheil approach for nucleation-dependent solidification pathways — S. Y. Kwon
  6. O1.17 Developing reliable Calphad descriptions: lessons from the Fe-Ni system — Z. He
306AB
15:30-15:50Break — refreshmentsFoyer 306
15:50–17:50
DFT in CALPHAD
Chairs: B. Hallstedt & Y. Zhong
  1. O1.18 Using Universal Machine Learning Potential to Accelerate the Thermodynamic Database Development — A. Saengdeejing
  2. O1.19 A hybrid methodology based on first-principles calculations and Calphad to predict the Ni-Co phase diagr… — C. Shi
  3. O1.20 Overestimation of Silica Melting at Ambient Pressure in DFT and High-Accuracy MLIPs: Tackling Unreachabl… — L.-F. Zhu
  4. O1.21 Application of an uncertainty quantification method based on a heterogeneous ensemble of pretrained Univ… — M. H. F. Sluiter
  5. O1.22 Ab Initio Prediction of the Magnetic Thermodynamics of LaCoO3 Perovskite Based on the Zentropy Theory — Y. Zhong
  6. O1.23 Automated computation of ab initio bulk and defect phase diagrams — J. Neugebauer
306AB
17:50–19:20DinnerEspace Urbain
P1.1 Deep Alloy®: A New Frontier in Material Discovery — Nicolás AdriánP1.2 Thermodynamic model for sodium and potassium chromates, molybdat… — S. BenaliaP1.3 Predicting thermal conductivity of graphite cathode blocks for a… — Imene Dorsaf BouzaineP1.4 Thermodynamic properties measurement of CaNdAl3O7 and CaNdAlO4 — Z. CaoP1.5 Liquidus projection of the Cr-Nb-Ta system — G. C. CoelhoP1.6 Thermodynamic Modeling of the NaF-AlF₃-CaF₂-Al₂O₃-FeF₂-FeO-FeF₃-… — C. V. da Silva LimaP1.7 Thermodynamic and Microstructural Analysis of Lead-free Sn–Ag–Cu… — P. DanišovičováP1.8 Integrating Machine Learning for Alloy Exploration — J. FoleyP1.9 Reconstruction of a Historical Silicon Arc-Furnace Thermodynamic… — K. HackP1.10 Microstructure Prediction of Ni–Cr–Al Alloys for Exhaust Valve S… — Hyo-Sun JangP1.11 Nickel Partitioning in Iron and Its Implications for Terrestrial… — T. KovačevićP1.12 Stacking Fault Energy in Fe–Mn Steels: Bridging the Gaps between… — F. LarssonP1.13 Experimental Phase Equilibrium Study and Thermodynamic Optimizat… — Xi LingP1.14 Experimental Phase Equilibria and Thermodynamic Modeling of the … — Chunxi LuoP1.15 Investigation of Additions on β-AlFeSi and α-Hexagonal Phase For… — Vincent Rioux-FrenetteP1.17 Integrated CALPHAD–DFT Study of the Al–Si Subsystem for Accurate… — Y. MishchenkoP1.18 Construction of Theoretical Phase Diagrams using NNP — Hirokazu OkabeP1.19 Microstructural modifications of a 6061 aluminum alloy by additi… — A. PomerleauP1.20 CALPHAD-Based Thermodynamic Framework for Disordered and Ordered… — E. Povoden-KaradenizP1.21 From Quantum-Informed Descriptors to Additive Manufacturing Proc… — S. RangaswamyP1.22 Advances in the experimental determination of the liquidus proje… — C. S. BarrosP1.23 Homogenization Kinetics of Refractory High-Entropy Alloys Predic… — B. TakP1.24 Revisit the Ab Initio Lattice Stability of Cr with R2SCAN Exchan… — Songge YangP1.25 Improving Alloy Mechanical Property Prediction by Addressing Dat… — Yuhui ZhangP1.26 Thermodynamic modeling of the Ge-Al-Mg and Ag-Al-Mg systems — A. T. PhanP1.27 Thermodynamic Modeling of Titanium-based Ti-Al-Ca-O Liquid Alloy… — G. Hils