Mannheim, Germany
May 26-31, 2024

CALPHAD Annual Awards

The Best Paper Award for papers published in the CALPHAD Journal

The paper for the Best Paper Award will be voted for by the CALPHAD Advisory and Editorial Board members. The Best Paper Award consists of a $2000 prize from CALPHAD and a plaque.

The Best Poster Award at CALPHAD Conferences

The poster for the Best Poster Awards will be voted during CALPHAD conferences by a jury consisting of the organizing committee chair and vice-chair and participating members of the CALPHAD Editorial Board. Each Best Poster Award consists of a $1000 prize and a certificate. From 2018, the Best Poster Awards are partially sponsored by FactSage.


List of Recipients

Best Paper
Best Poster


S. Curtarolo, D. Morgan and G. Ceder: Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys, CALPHAD, Vol.29, 2005, 163-211.

R. Bernst, G. Inden, and A. Schneider: Carburization of Fe-X (X=Si, Mo, V) Diffusion Couplesh


P. Koukkari and R. Pajarre: Calculation of constrained equilibria by Gibbs energy minimization, CALPHAD, Vol.30, 2006, 18-26.

M. H. F. Sluiter, "Ab initio lattice stabilities of some elemental complex structures," CALPHAD, Vol.30, 2006, 357-366.

Youn-Bae Kang, In-Ho Jung, Hae-Geon Lee: Experiment and Thermodynamic Optimization of the MnO-SiO2-TiO2-Ti2O3system for Application to Steel Production


Eli Brosh, Guy Makov, and Roni Z. Shneck: Application of CALPHAD to high pressures, CALPHAD, Vol. 31, 2007, 173-185

C. Gueneau, S. Gosse, S. Chatain, C. Utton, D. Dupin, B. Sundman, C. Martial, J.C. Dumas, C. Rado: FUELBASE: a Thermodynamics Database for Advanced Nuclear Fuels


D.A. Andersson, P.A. Korzhavyi and B. Johansson: First-principles based calculation of binary and multicomponent phase diagrams for titanium carbonitride, CALPHAD, Vol. 32, 2008, 543-565

G. Cacciamani, A. Dinsdale, M. Palumbo, A. Pasturel: Fe-Ni system: thermodynamic modelling assisted by atomistic simulations

D. Pavlyuchkov, B. Grushko, D. Kapush, W. Kowalski, V. Khorujaya, K. Kornienko, T.Ya. Velikanova: Constitution of the Al-Cr-Fe phase diagram in the compositional range above 60 at. % Al


M. Hillert, L. Kjellqvist, H. Mao, M. Selleby, B. Sundman: Parameters in the compound energy formalism for ionic systems, CALPHAD, Vol. 33, 2009, 227-232

Hyun-Kyu Kim, Won-Seok Ko and Byeong-Joo Lee: Atomistic modeling for NaCl-type MC carbides in steels


Byeong-Joo Lee, Won-Seok Ko, Hyun-Kyu Kim, Eun-Ha Kim: The modified embedded-atom method interatomic potentials and recent progress in atomistic simulations, CALPHAD, Volume 34, 2010, 510-522

Takashi Miyamoto, Ikuo Ohnuma, Kiyohito Ishida and Ryosuke Kainuma: Combinatorial technique for phase equilibria determination of Pt-Fe-X (X=Al, In) system


Wei Xiong, Peter Hedstram, Malin Selleby, Joakim Odqvist, Mattias Thuvander, Qing Chen: An improved thermodynamic modeling of the Fe-Cr system down to zero kelvin coupled with key experiments, CALPHAD, Volume 35, Issue 3, September 2011, Pages 355-366

Me19: Ikuo Ohnuma, Shota Shimenouchi, Toshihiro Omori, Kiyohito Ishida, Ryosuke Kainuma: Experimental and Thermodynamic Investigations of Coherent and Incoherent Phase Equilibria of bcc Miscibility Gap in the Fe-Al System

Tue13: Sebastian Buhl, Carlo Pignedoli, Daniele Passerone, Jiang Wang, Wenjun Zhu, Christian Leinenbach: Study and Modelling of Interface Reactions During Brazing of Diamonds

The6: Fritz Kormann, A. Dick, B. Grabowski, T. Hickel, J. Neugebauer, Atomic Forces at Finite Magnetic Temperatures: Phonons in Paramagnetic Iron


Wei Xiong, Qing Chen, Pavel A. Korzhavyia, Malin Selleby: An improved magnetic model for thermodynamic modeling, CALPHAD, Volume 39, December 2012, Pages 11-20

Mira Todorova and Joerg Neugebauer: Electrochemical Pourbaix phase diagrams from ab initio calculations


Erwin Povoden-Karadeniz, Peter Lang, Piotr Warczok, Ahmad Falahati, Wu Jun, Ernst Kozeschnik: CALPHAD modeling of metastable phases in the Al–Mg–Si system, CALPHAD, Volume 43, December 2013, Pages 94-104

P13: Peng, Yingbiao; Zhang, Weibin; Du, Yong; Zhou, Peng; Chen, Weimin; Cheng, Kaiming; Zhang, Lijun; Liu, Shuhong; Wang, Shequan; Wen, Guanghua; Xie, Wen: Thermodynamic and diffusion databases of cemented carbides and their applications to development of new cemented carbides

P70: Das, Sazol Kumar; Jung, In-Ho: "Diffusion study on Mg-based alloys: an experimental and modeling approach"


George Kaptay: On the abilities and limitations of the linear, exponential and combined models to describe the temperature dependence of the excess Gibbs energy of solutions, CALPHAD, Volume 44, 2014, Pages 81-94

P9: Phase equilibria in the Al-C-Fe-W quaternary system; By Chen, Chong; Du, Yong; Zhang, Weibin; Long, Jianzhan; Luo, Fenghua

P45: CALPHAD Assisted Titanium Aluminide Alloy Development for Additive Manufacturing; By Kenel, Christoph; Leinenbach, Christian

P117: Wetting and interfacial reactivity in the Ta-X (X = Co, Ni)/SiC system; By Gambaro, S.; Valenza, F.; Passerone, A.; Muolo, M.L.; Cacciamani, G.


Alan A. Luo: Material design and development: From classical thermodynamics to CALPHAD and ICME approaches, CALPHAD, Volume 50, 2015, Pages 6-22

PA22: Thermodynamic assessment of Fe-Ti-S ternary phase diagram by using cluster variation method, By Kenji Hirata, Satoshi Iikubo, Hiroshi Ohtani

PB17: Prediction of Martensite Start Temperature and Type of Martensite, By Won-Mi Choi and Byeong-Joo Lee

PC4: Phase equilibria of the Fe-Co-Mo ternary system in the iron-rich side above 900 °C, By Annie Antoni-Zdziobek, Paolo Galimberti, Thierry Commeau


Colinet, C. & Tedenac, J.-C. Enthalpies of formation of TM–X compounds (X=Al, Ga, Si, Ge, Sn). Comparison of ab-initio values and experimental data. CALPHAD 54, 16–34 (2016).

Monday: PA4: "Computational Study of Atomic Mobility in HCP Mg-Al-Zn Ternary Alloys", Jingya Wang, Javier Llorca, Yuwen Cui

Tuesday: PB61: "Kinetic Simulation of Alloying Element Partitioning in Q&P Steels", N. Maheswari, A. Kumar, M. Amirthalingam, S. Sankaran, K.C. Hari Kumar


Zhou, J., Zhong, J., Chen, L., Zhang, L., Du, Y., Liu, Z.-K. & Mayrhofer, P. H. Phase equilibria, thermodynamics and microstructure simulation of metastable spinodal decomposition in c-Ti1-xAlxN coatings. CALPHAD 56, 92-101 (2017)

FactSage Best Student Poster Award

High Throughput CALPHAD Assessments and Phase-Field Calculations For Use In Infiltration of Ceramic Matrix Composite Materials Discovery, by E.J. Muñoz III, V. Attari, M. Hernandez, M. Radovic, T. Duong, R. Arroyave

Determination of PLE/NPLE transition boundaries for ferrite growth in FeCSi system: application to decomposition of austenite in spheroidal graphite cast irons, by L.N.Garcí­a, F.D.Carazo


Jae-Hyeok Shim, Byoungchul Hwang, Myoung-Gyu Lee, Joonho Lee, Computer-aided alloy designs of grade 600 MPa reinforced steel bars for seismic safety based on thermodynamic and kinetic calculations: Overview, CALPHAD, 62, (2018), 67-74



CALPHAD SINGAPORE 2019 Best Student Poster Awards

J-Y. Wang, J. Llorca, Y.W. Cui: “High-Throughput Measurements for the Micro-mechanical Plastic Deformation in Mg-Al Alloys"

Rohit Ojha, Kaustubh Kulkarni, Thomas Helander, K.C. Hari Kumar for their work entitled “Experimental and Computational Study of Phase Equilibria and Diffusion in Fe-Cr-Al-Ni System”

FactSage Best Student Poster Awards

Ryosuke Ishikawa, Kwangsik Han, Ikuo Ohnuma, and Ryosuke Kainuma: “Experimental Determination of Phase Diagrams in the Al-Fe-Si Ternary System"

H. Kim, L. Kecskes and Z. K. Liu: “Temperature-dependent Hardness Model of Materials


T. Zienert, O. Fabrichnara: "Prediction of heat capacity for crystalline substances", CALPHAD, 65, June 2019, 177-193


Halil _Ibrahim Sözen, Tilmann Hickel, Jörg Neugebauer: "Impact of magnetism on the phase stability of rare-earth based hard magnetic materials", Volume 68, 2020, 101731


CALPHAD GLOBAL 2021 Best Poster Awards

Fredrik Haglöf, Andreas Blomqvist, Andrei Ruban, Malin Selleby: “Calculation of finite temperature thermodynamic properties for metastable magnetic allotropes"

S. Yang, J. Gao, M. Trini, S. De Angelis, P. S. Jørgensen, J. Bowen, L. Zhang, M. Chen:  “On Ni coarsening in Ni-yttria stabilized zirconia electrodes: Three-dimensional multi-phase-field simulation supported by key experiments”

Xin Wang, Soumya Sridar, Wei Xiong: "CALPHAD-based Alloy Design and Uncertainty Quantification for Additive Manufacturing"

Qiang Tang, Sa Ma, Fangzhou Xing, Lijun Zhang: "Anisotropic atomic mobilities of hcp Zr(O) solid solution and their application in description of early-stage oxidation process of pure Zr"

K. Ioroi, Y. Aono, T. Omori, R. Kainuma: "Experimental Determination of Phase Diagram in the Cr-Si Binary"

Renata Caroline Mota Santos, Rodrigo Magnabosco: "DICTRA® phase transformation study in AISI 442 used in steel mills heat exchangers"


Sun Yong Kwon, Reghan J. Hill, In-Ho Jung: "A model for multicomponent diffusion in oxide melts", Volume 72, 2022, 102246

CALPHAD 2022 Best Poster Award

V.S. Hariharan: "Kinetic Phase Diagram – An Application to Additive Manufacturing of Multicomponent Alloys"

FactSage Best Student Poster Award

Mariia Ilatovskaia: "Thermodynamic assessment of the MgO-TiO2-SiO2 system"

Shir Ben Shalom: "Phase Diagram of binary alloys under high pressure"



Gildas Guillemot, Oriane Senninger, Christopher A. Hareland, Peter W. Voorhees, Charles-André Gandin: "Thermodynamic coupling in the computation of dendrite growth kinetics for multicomponent alloys", Vol. 77 (2022) 102429

CALPHAD 2023 Best Poster Awards

Juliano Schorne Pinto: "Challenges in developing predictive thermodynamic models for complex molten salts"

S. Gambaro: "High entropy alloys on graphite: wetting and reactivity evaluation by CALPHAD method"

FactSage Best Student Poster Award

Chu-Liang Fu: "A Cluster-Based Computational Thermodynamics Framework with Intrinsic Chemical Short-Range Order: Applications to Prototype Systems"

Sang-Ho Oh: "Columnar grain formation in Nb3Sn layer: a CALPHAD-coupled Monte Carlo study"

CALPHAD Gibbs Triangle Award

In celebration of the 150th birthday of Josiah Willard Gibbs, who was born in 1839, the Gibbs Triangle Award was established in 1989. It will be awarded once every third to fifth year for outstanding contributions to studies of ternary and higher-order phase diagrams, their thermodynamic background and principles of construction as well as methods of calculation and assessment work. The name of the award has been taken from Gibbs composition triangle, commonly used in representing ternary phase diagrams. The recipient will be chosen by the associate editors of the CALPHAD journal together with prior recipients. The award is in the form of a musical triangle and its ByLaw is at this link

List of recipients

1. Larry Kaufman (1989, CALPHAD 13, 1989, 336), in recognition of his unique, pioneering contributions. The fact that the thermodynamic CALculation of PHAse Diagrams is today accepted as an important scientific activity is largely due to his forsight and energy. His introduction of the “lattice stability” concept has been instrumental in enabling thermodynamic assessments of phase diagrams to be extended to ternary and higher order systems, and he has been particularly active in assessing ternary metallic and ceramic systems of industrial importance.

2. Taji Nishizawa (1994, CALPHAD 18, 1994, 368), in recognition of his contributions to the understanding of ternary phase diagrams, in particular the magnetic effects which he has studied by means of a unique combination of experimental and computational techniques.

3. Arthur Pelton (1999)

4. Mats Hillert (2000)

5. Bo Sundman (2002)

6. Gunnar Eriksson (2007), in recognition of his invaluable contribution to the study and calculation of phase diagrams and to computational thermodynamics through the development of internationally acclaimed software.

7. Hans Leo Lukas (2008), in recognition of his outstanding seminal contribution to the development of thermodynamic software allowing to take into account various kinds of information improving the consistency of the Gibbs energy modeling, and for the development of thermodynamic descriptions for numerous binary, ternary and higher order systems.

8. John Agren (2019), “For his achievements in the application of computational thermodynamics to the study of phase transformations.”

9. Ursula Kattner (2023) for her contributions to develop models, databases, computational techniques and their applications to new materials and processes.  As editor, for improving the quality of publications involving CALPHAD.

10. Rainer Schmid-Fetzer (2023) in recognition of his extensive experimental and theoretical contributions to the modeling of thermodynamic data applied to calculation of phase diagrams and related properties.

Recipients of Larry Kaufman Scholarship

Larry Kaufman Scholarship supports current students to attend CALPHAD conferences, provided by CALPHAD, Inc.

2007: Muhammad A. Arafin (Concordia University), Jozefien De Keyzer (Katholieke Universiteit Leuven), Rongxiang Hu (Illinois Institute of Technology), Md. Mezbahul Islam (Concordia University), Julien Jourdan (CEA/DEN/DMN/SRMA/LA2M), Manjeera Mantina (The Pennsylvania State University), Atsushi Nishikawa (Kwansei Gakuin University), Jonas Ostby( Riso¸ National Laboratory, Arkapol Saengdeejing (The Pennsylvania State University), An Serbruyns (Katholieke Universiteit Leuven), Sherali Tursunbadalov (Tadjik State Pedagogy University), Wei Xu (Netherlands Institute for Metals Research), Hui Zhang (The Pennsylvania State University), Lijun Zhang (Central South University).

2009: Vivek Chidambaram (Denmark Technical University, Denmark), Kristian Bodker Frederiksen (Riso¸ National Laboratory for Sustainable Energy, Denmark), Denis Kapush (I.N. Frantsevich Institute for Problems of Materials Science, Ukraine), Atta Ullah Khan (University of Vienna, Austria), Mohammad Asgar Khan (Concordia University, Canada), James Saal (Pennsylvania State University, USA), Monika Vsianska (Masaryk University, Czech), Aijun Wang (Central South University, China), Wei Xiong (Royal Institute of Technology, Sweden).

2010: Ji Young Noh (Sookmyung Women’s University, Korea), Arkapol Saengdeejing (Penn. State University, USA), Sulata Sahu (Indira Gandhi Centre for Atomic Researches, India), K. Santhy (Indian Institute of Technology Madras, India), Weihua Sun (Central South University, China), Yinan Zhang (Concordia University, Canada)

2011: Eugenio Pinatel (Universita di Torino, Italy), Eleno Luiz (Universidade do Estado de Sao Paulo, Brazil), Yan Yu (Xiamen University, China), Chelsey Zacherl (Pennsylvania State University, USA), Reza Naraghi (Royal Institute of Technology, Sweden), Yosuke Yamamoto (Kwansei Gakuin Univ, Japan), Mark Duchesne (University of Ottawa, Canada), Khurram Yaqoob (Universite Paris-Est Creteil, France), Liling Jin (Ecole Polytechnique de Montreal, Canada), Markus Beilmann (European Commission Joint Research Center Institute for Transuranium Elements, Germany).

2012: Bikram, Konar (McGill, Canada); Boulay, Emilie (Univ. Libre, Belgium); Jin, Shan (EMPA, Switzerland); Kim, Ki-Hyun (Postech, Korea); Li, Shengyen (Texas A&M, USA); Natarajan, Anirudh (IIT Madras, India); Sowa Piotr (Jagellonian Univ., Poland); Wang, William (Penn State, USA); Yin, Ming (IIT Chicago, USA); Zhang, Weiwei (TU Denmark, Denmark).

2013: Ananthanarayanan Durga (KU Leuven, Belgium), Keke Chang (RWTH Aachen University, Germany), Kaiming Cheng (Central South University, China), Ida Chojnacka (Wroclaw Univ. of Technology, Poland), Taufiq Hidayat (Pyrosearch, Univ. of Queensland, Australia), Yong Lu(Xiamen Univ., China), Min-Kyu Paek (Hanyang Univ., Korea), Marco Gabriele Poletti (Univ. of Turin, Italy), Wei Xie (Univ. of Wisconsin-Madison, USA), Guanglong Xu (Univ. Politec. de Madrid & IMDEA, Spain)

2014: Jacob, Aurelie (Forschungszentrum Juelich, Germany), Zhang, Fan (Central South University, China), Chen, Yi (IMDEA Materials Institute, Spain), Yin, Ming (Illinois Institute of Technology, USA) Kim, Min-Su (Pohang University of Science and Technology, Republic of Korea), Otis, Richard (Penn State University, USA), Ouzilleau, Philippe (Ecole Polytechnique de Montreal, Canada), Wang, Fangfang (University of Science and Technology Beijing, China), An, Dong (Southeast University, China), Chizhko, Oleg (Moscow Environmental Center, Russia).

2015: Jing-jing Liu (KU Leuven, Belgium), Masoomeh Ghasemi (Lund University, Sweden), Christoph Kenel (EMPA, Switzerland), Marcela Trybula (Polish Academy of Sciences, Poland), P. M. Aiswarya (Indira Gandhi Centre Atom. Res., India), Ondrej Zobac (Masaryk University, Czech Republic), Weiwei Xu (Xiamen University, China), Xuan Liu (Penn State Universty, USA), Anjana Talapatra (A&M Univ., USA), Ali Zendegani (Max Planck Inst., Germany), Andras Dezso (University of Miskolc, Hungary).

2016: Senlin Cui (McGill University, Canada), Forghani Farsad (University of Tehran, Iran), Young-Kwang Kim (Pohang University of Science and Technology, Korea), Jiasi Liang (Central South University. China), Yu-Chen Liu (National Cheng Kung University, Taiwan), Yafei Pan (Central South University, China), Matthew Peters (Northwestern University, USA), Austin Ross (Pennsylvania State University, USA), Sridar Soumya (Indian Institute of Technology Madras, India), Evgeny Syutkin (NUST MISIS, Russia), Chuanyun Wang (La Universidad Politecnica de Madrid (UPM), Spain), Rui Zhang (Aalto University, Finland)

2017: Maksym Shevshenko (University of Queensland), Yao Wang (University of Genoa), Mariia Ilatovskaia (Peter the great St-Petersburg Polytechnic University), Sylwia Terlicka (Polish Academy of Sciences, Krakow), Frantisek Zelenka (Masaryk University, Faculty of science, Brno), Jingya Wang (Universidad Politecnica de Madrid), Kenji Hirata (Kyushu Institue of Technology), Hongyeun Kim (Pennsylvania State University), Kasi Gajavalli (IRSN), Fuwen Chen (Central South University), Chengjie Lu (Harbin Institute of Technology/ONERA-CNRS), Guillaume Deffrennes (Université Claude Bernard Lyon 1).

2018: Aube, Maxime (Polytechnique Montreal, Canada); Bettanini, Alvise (Universite Catholique de Louvain, Belgium); Bignon, Madeline (University of Nantes, France); De Barros, Denis Felipe (University of Sao Paulo, Brazil); Dorini, Thiago (University of Sao Paulo, Brazil); Gu, Yuanyu (Instituto de Ciencia de Materialies de Aragon, Spain); Mardani, Masuma (National University of Science and Technology, Russia); Munoz, Elias (Texas A&M University, USA); Spathara, Dimitra (University of Birmingham, UK); Zhong, Jing (Central South University, China).

2019: Irina Bajenova (National University of Science and Technology “MISiS”), Karoline Elerbrock Borowski (University of São Paulo, EEL-USP), Jayshri Milind Dumbre (Monash University), Qisheng Feng (Shanghai University), Roncallo Giacomo (University of Genoa, Italy), Qing Gu (Illinois Institute of Technology), Schorne Pinto Juliano (Institut National Polytechnique de Toulouse, France), Hong Yeun Kim (Pennsylvania State University), Rodrigo Tolosa Martín (Universidad Nacional de Tucumán), Boon Teoh Tan (Singapore University of Technology and Design), Anna Vasileva (Saint-Petersburg Mining University), Shao-Yu Yen (National Cheng Kung University), Chenyang Zhou (University Science and Technology Beijing).


Shir Ben Shalom  (Ben Gurion University), Yuri Kirshon (Ben Gurion University), Sufyan Muneer Ahmed Shaikh (Indian Institute of Technology Madras), Noah Sargent (University of Pittsburgh), Ahmadreza Riyahi khorasgani (Ruhr University Bochum), Niraja Moharana (Indian Institute of Technology Madras), Willem Roos (University of Pretoria), Nicolás García Arango (Technische Universität Wien), Tobias Spitaler (Montanuniversität Leoben), Saverio Sitzia (University of Genoa), Brandon Bocklund (Lawrence Livermore National Laboratory), V S Hariharan (Indian Institute of Technology Madras)


Jeong-Min Cheon (Seoul National University), Thomas Dumaire (Delft University of Technology), Karoline Elerbrock Borowski (University of São Paulo), Lorenzo Fenocchio (Università di Genova), Liangyan Hao (University of Pittsburgh), Manuel Löffler (Technische Universität Bergakademie Freiberg), Irene Moreno Flores (University of Strathclyde), Amedeo Morsa (Forschungszentrum Jülich), Vitória Silveira (University of São Paulo), Shibo Tan (University of Michigan), Xingru Tan (West Virginia University), Lucas Tosin Paese (CEA Saclay/Université Paris Saclay), Héléna Verbeeck (Katholieke Universiteit Leuven), Jaemin Wang (Pohang University of Science and Technology), Yanglin Wang (Northeastern University), Nishant Tiwari (Indian Institute of Technology Kharagpur), Srilekshmi Muraleedharan (Indian Institute of Science), Yindong Fang (Friedrich Schiller University Jena), Yu-ning Chiu (National Cheng Kung University)

Recipients of Y. Austin Chang-Pandat Scholarship

Y. Austin Chang-Pandat Scholarship supports current students to attend CALPHAD conferences, provided by CompuTherm, LLC.

2017: Yang Li (Shangai University), Xuejun Huang (Ohio State University).

2018: Bian, Baiuxe (Central South University, China); Coutinho, Yuri (KU Leuven, Belgium).

2019: Dobosz Alexandra (Institute of Metallurgy and Materials Science of the Polish Academy of Sciences, Cracow, Poland) and Andrei Lebedev (Singapore University of Technology and Design)