Dr. rer.-net. Irina Roslyakova

Dr. rer.-net. Irina RoslyakovaRoom: IC 03/211
Phone: +49 (0)234-32-21496


Dr. Irina Roslyakova studied applied mathematics and informatics at the Moscow State Industrial University, Moscow, Russia, where she got her diploma with honors in summer 2006 and a Scholarship from Rotary Club, Germany to continue with a master at the Hochschule Fulda, Germany. In 2009 she has successfully finished her master study in Electronic Business in cooperation with BASF SE, Ludwigshafen am Rhein. In July 2017 she received the title “Dr. rer. nat” from the Ruhr University Bochum (RUB) for her interdisciplinary research on development and applications of physically-based models for the third generation of CALPHAD-databases from zero Kelvin and phase-diagram calculations. From October 2017 till June 2022 she was employed as research group leader for "Artificial Materials Intelligence (AMI) for Microstructure-Property Relationship" at the Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr Universität Bochum. From July 2022 till end of 2022, she has worked as Head of Research and Development at MatPlus GmbH in Wuppertal. Her main tasks were acquisition, coordination and processing of research and industrial projects, establishment and further development of innovation pipeline. Her research competencies lie in the following areas: 

  • Development of automated AI-driven strategies for experiments and simulations incl. image analysis using computer vision
  • Development of physics-based data-driven modeling models and methods for accurate and robust description of material properties to support computer-based design of new materials; 
  • Design and implementation of internal research data management

She has published 20 articles in peer-reviewed journals, author of more than 60 contributed and 10 invited talks. Since July 2023 she is working as a postdoctoral researcher for Materials Informatics at the Faculty of Mechanical Engineering, Chair of Materials Discovery and Interfaces, RUB.

Duties and Positions

  • Member of SFB/TR 103
  • Editorial Board Member, International Journal "Advanced Powder Materials“, Changsha, China

Ineterests of Research

  • Material Informatics
  • Physically-based and combined AI-methods
  • Data-driven modeling and design of materials
  • Data management of research data
  • Development and application of the third generation CALPHAD databases from 0 Kelvin
  • Applied mathematics and optimization


Y. Jiang, M. A. Ali, I. Roslyakova, D. Bürger, G. Eggeler, I. Steinbach (2023)
Estimation of 3D phase volume fraction of Ni-based superalloys from 2D-microstructure driven by 3D phase-field simulations
Modelling and Simulation in Materials Science and Engineering 31, 035005

A. Obaied, I. Roslyakova, M. to Baben (2022)

Including state-of-the-art physical understanding of thermal vacancies in Calphad models
Nature: Scientific Reports 12, 13385, DOI: 10.1038/s41598-022-16926-5

U. Nwachukwu, A. Obaied, O. Horst, M. A. Ali, I. Steinbach, I. Roslyakova (2022)

Microstructure property classification of Ni-based super alloys by computer vision using deep learning methods
Modelling and Simulation in Materials Science and Engineering, 30, 025009, DOI: 10.1088/1361-651X/ac3217

E. Zhang, Y. Tang, M. Wen, A. Obaied, I. Roslyakova, L. Zhang (2022)

On phase stability of Mo-Nb-Ta-W refractory high entropy alloys
International Journal of Refractory Metals and Hard Materials 103 105780, DOI: 10.1016/j.ijrmhm.2022.105780

I. Steinbach, I. Roslyakova, K. Abrahams (2021)

Chapter 2: “Fundamentals: alloy thermodynamics and kinetics of diffusion”
“Nickel base single crystals across length scales”, Elsevier, DOI: 10.1016/B978-0-12-819357-0.00009-3

A. Obaied, F. Tang, I. Roslyakova, M. to Baben (2021)

2 1/2th generation Calphad databases: Extrapolating heat capacities of elements and compounds to 0K
CALPHAD Journal, 75, 1-12, DOI: 10.1016/j.calphad.2021.102352

M. Ahmed, A. Obaied, O. M. Horst, I. Steinbach, I. Roslyakova (2021)

Automated image analysis for quantification of materials microstructure evolution
Modelling and Simulation in Materials Science and Engineering, 29, 055012, DOI: 10.1088/1361-651X/abfd1a

K. Abrahams, S. Zomorodpoosh, A. Riyahi Khorasgani, I. Roslyakova, I. Steinbach, J. Kundin (2021)

Automated assessment of a kinetic database for fcc Co-Cr-Fe-Mn-Ni high entropy alloys
Modelling and Simulation in Materials Science and Engineering, 29, 055007, DOI: 10.1088/1361-651X/abf62b

S. Zomorodpoosh, N. Volz, S. Neumeier, I. Roslyakova (2020)

Application of change-point analysis to the selection of representative data in creep experiments
Journal of Physics Communications, 4, 075024, DOI: 10.1088/2399-6528/aba7ff

S. Zomorodpoosh, B. Bocklund, A. Obaied, R. Otis, Z.-K. Liu, I. Roslyakova (2020)

Statistical approach for automated weighting of datasets: application to heat capacity data
CALPHAD 71, 101994, DOI: 10.1016/j.calphad.2020.101994

Y. Li, W. Zhao, I. Roslyakova, L. Zhang (2020)

Thermodynamic descriptions of quaternary Mg-Al-Zn-Bi system supported by experiments and their application in descriptions of solidification behavior in Bi-additional AZ casting alloys
J. Magnesium and Alloys 8 (4), 1238-1252, DOI: 10.1016/j.jma.2020.03.007

A. Obaied, B. Bocklund, S. Zomorodpoosh, L. Zhang, R. Otis, Z.-K. Liu, I. Roslyakova (2020)

Thermodynamic re-assessment of pure chromium using modified segmented regression model
CALPHAD 69, 101762, DOI: 10.1016/j.calphad.2020.101762

N. H. Paulson, S. Zomorodpoosh, I. Roslyakova, M. Stan (2020)

Comparison of statistically-based methods for automated weighting of experimental data in CALPHAD-type assessment
CALPHAD 68, 101728, DOI: 10.1016/j.calphad.2019.101728

Y. Jiang, S. Zomorodpoosh, I. Roslyakova, L. Zhang (2019)

Thermodynamic re-assessment of binary Cr-Ta system down to 0 K
International Journal of Materials Research 2019, 110 (9) 797-807, DOI: 10.1016/j.calphad.2018.06.001

B. Bocklund, R. Otis, A. Egorov, A. Obaied, I. Roslyakova, Z.K. Liu (2019)

ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: application to Cu-Mg
MRS Communications, Special Issue Research Letter: Artificial Intelligence, 9, pp. 618-627, DOI: 10.1557/mrc.2019.59

D. Sergeev, B. H. Reis, M. Ziegner, I. Roslyakova, M. to Baben, K. Hack, M. Müller (2019)

Comprehensive Analysis of Thermodynamic Properties of Calcium Nitrate
Journal of Chemical Thermodynamics 134, pp. 187–194, DOI: 10.1016/j.jct.2019.03.007

A. Müller, I. Roslyakova, M. Sprenger, P. Git, R. Rettig, M. Markl, C. Körner, R. F. Singer (2019)

MultOpt++: A fast regression-based model for the development of compositions with high robustness against scatter of element concentrations
Modelling and Simulation in Materials Science and Engineering 27, 024001, DOI: 10.1088/1361-651X/aaf0b8

Y. Jiang, S. Zomorodpoosh, I. Roslyakova, L. Zhang (2018)

Thermodynamic re-assessment of binary Cr-Nb system down to 0 K
Calphad 62, pp. 109-118, DOI: 10.1016/j.calphad.2018.06.001

I. Roslyakova (2017)

Modeling thermodynamically properties by segmented non-linear regression
PhD Thesis, ICAMS, Ruhr Universität Bochum

I. Roslyakova, B. Sundman, H. Dette, L. Zhang, I. Steinbach (2016)

Modeling of Gibbs energies of pure elements down to 0K using segmented regression
Calphad, 55, pp. 165-180, DOI: 10.1016/j.calphad.2016.09.001

I. Roslyakova (2009)
Statistical analysis and optimization of partial aspects of Ultraform production
Master thesis, Hochschule Fulda, Germany

I. Roslyakova (2006)
Development of a mathematical model of the unsteady thermoelastic field of a thin circular plate formed by non-axisymmetric temperature effects
Diploma thesis, Moscow State Industrial University, Russia