Halil İbrahim Sözen

Computational Materials Scientist & Postdoctoral Researcher

Istanbul, TR.

About

I am a Computational Materials Scientist with a PhD in Computational Materials Design and several years of postdoctoral experience working on advanced materials. My background includes ab initio calculations, phase stability, and magnetic materials, with a strong focus on connecting theoretical modeling to real engineering needs. I enjoy turning complex simulations into practical insights, and I have contributed both to academic research—through publications—and to applied engineering problems such as vehicle structures and aerodynamics

Work

Mercedes Benz-Türk A.Ş

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Senior R&D Engineer at CAE Trucks - Vehicle Structure & Aerodynamics

Istanbul, Istanbul, Türkiye

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Summary

Led advanced computational analysis and simulation efforts for vehicle structure within the CAE Trucks division, enhancing durability and multi-body system performance.

Highlights

Conducted comprehensive durability analyses for truck cab and multi-body systems, identifying critical stress points and recommending design improvements that enhanced structural integrity.

Developed and validated complex computational models for vehicle components, reducing physical prototyping needs and accelerating the design iteration cycle.

Collaborated with cross-functional engineering teams to integrate simulation results into the design process, ensuring optimal performance and compliance with industry standards.

Carl-von-Ossietzky Universität Oldenburg

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Post-doctoral Researcher at Theoretical Chemistry

Oldenburg, Lower Saxony, Germany

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Summary

Conducted advanced theoretical chemistry research, focusing on quantum mechanical modeling and computational simulations to explore novel materials and chemical reactions for bi-functional electrocatalyst systems.

Highlights

Performed quantum mechanical modeling of bifunctional electrocatalysts, contributing to the theoretical design of novel materials for fuel cell applications.

Investigated atomistic modeling of anodic reactions, providing critical insights into electrochemical processes and material degradation mechanisms.

Authored and co-authored multiple peer-reviewed publications, disseminating research findings to the scientific community and advancing the field of theoretical chemistry.

Collaborated with interdisciplinary research groups to apply computational methods to complex chemical problems, fostering innovation and knowledge exchange.

Max-Planck-Institut für Eisenforschung GmbH

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Post-doctoral Researcher at Computational Materials Design department

Düsseldorf, North Rhine-Westphalia, Germany

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Summary

Executed advanced computational materials design projects, specializing in ab initio methods and computational phase studies to develop and characterize novel materials.

Highlights

Conducted ab initio based finite temperature phase stability studies, contributing to the fundamental understanding and design of advanced materials with tailored properties.

Developed and applied screening methodologies for substitutional doping effects in magnetic materials, enhancing their stability and performance for industrial applications.

Max-Planck-Institut für Eisenforschung GmbH

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PhD Student at Computational Materials Design department

Düsseldorf, North Rhine-Westphalia, Germany

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Summary

Conducted doctoral research on ab initio phase stabilities of Ce-based hard magnetic materials, developing a comprehensive understanding of their thermodynamic properties and potential for industrial applications.

Highlights

Investigated Ce-based hard magnetic materials using ab initio methods as an alternative to Nd-Fe-B magnets, performing thermodynamic phase stability calculations considering vibrational, electronic, and magnetic contributions.

Developed and implemented a novel screening methodology for 3d and 4d substitutional doping effects, enabling the consideration of a large number of substitutions to improve the relative stability of desired hard magnetic phases.

Calculated and optimized the performance of various transition metals, validating theoretical predictions through comparison with reactive crucible melting experiments.

Repkon Machine and Tools Industry

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Mechanical Design Engineer

Istanbul, Istanbul, Türkiye

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Summary

Designed mechanical components and performed materials characterization, contributing to the development of shear forming and free flow forming machines.

Highlights

Executed mechanical design of shear forming and free flow forming machines, optimizing component performance and manufacturing processes.

Conducted materials characterization of samples, providing critical data for material selection and design validation.

Applied engineering principles to solve design challenges, contributing to the successful development of industrial machinery.

Koc Otokar Military Defense Industry

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Internship

Sakarya, Sakarya, Türkiye

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Summary

Gained practical engineering experience within the military defense industry, supporting various project phases and technical tasks.

Highlights

Assisted engineering teams in the design and analysis of military defense components, contributing to project documentation and technical reports.

Participated in hands-on tasks related to manufacturing and assembly processes, gaining exposure to industrial production environments.

Education

Max-Planck-Institut für Eisenforschung GmbH

Düsseldorf, North Rhine-Westphalia, Germany
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PhD Computational Materials Design

Courses

PhD Thesis: Ab initio phase stabilities of Ce-based hard magnetic materials

Ruhr University-Bochum

Bochum, North Rhine-Westphalia, Germany
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MSc Interdisciplinary Center for Advanced Materials Simulation

Courses

MSc Thesis: Ab initio investigations on the energetics and kinetics of defects in Fe-Al alloys

FMV Işık University

Istanbul, Istanbul, Türkiye
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BSc Mechanical Engineering Grade: 3rd place (Faculty Ranked Graduation)

Courses

BSc Thesis: Mechanical and electronic design of the autonomous underwater vehicle (AUV)

Awards

The Best Paper Award

CALPHAD Journal

Recognized for an outstanding paper published in 2020, demonstrating significant contributions to the field of computational thermodynamics.

Postdoctoral Research Grant

Bundesministerium für Bildung und Forschung (BMBF)

Awarded a competitive grant to support postdoctoral research activities in advanced materials science.

Postdoctoral Research Grant

Deutsche Forschungsgemeinschaft (DFG)

Received a prestigious grant to fund postdoctoral research, validating the scientific merit and potential impact of proposed studies.

PhD Fellowship

Robert BOSCH-Forschungsstiftung

Awarded a fellowship to support doctoral studies and research in computational materials design.

International Graduation Project Contest, 3rd place

International Graduation Project Contest

Secured 3rd place in an international competition for the graduation project, highlighting innovative design and engineering skills.

Faculty Ranked Graduation, 3rd place

FMV Işık University

Achieved 3rd place in faculty ranking upon graduation, recognizing academic excellence in Mechanical Engineering.

Publications

Accelerating Exploration of Rare-Earth-Free Magnetic Materials via Active Learning from First-Principles Calculations

Under review

Explored active learning from first-principles calculations to accelerate the discovery of rare-earth-free magnetic materials.

Ab initio Investigation on the Magnetic Moments, Magnetocrystalline Anisotropy and Curie Temperature of Fe2P-Based Magnets

Magnetism

Conducted ab initio investigations into the magnetic moments, magnetocrystalline anisotropy, and Curie temperature of Fe2P-based magnets.

Structure, phase transitions and hard magnetic properties of ternary Fe1.93(P1-xSix) compounds with x ≤ 0.5

Acta Materialia

Analyzed the structure, phase transitions, and hard magnetic properties of ternary Fe1.93(P1-xSix) compounds with varying silicon content.

Topology optimization and durability analysis of clips used in electric vehicle battery pack enclosure

International Journal on Interactive Design and Manufacturing

Applied topology optimization and durability analysis to clips used in electric vehicle battery pack enclosures.

Phase formation, structure and magnetic properties of Ge substituted Fe2P compounds

Solid State Science

Studied the phase formation, structure, and magnetic properties of Ge-substituted Fe2P compounds.

Ab initio calculations of the chemisorption of atomic H and O on Pt and Ir metal and on bimetallic PtIry surfaces

Zeitschrift fuer Naturforschung B

Performed ab initio calculations to study the chemisorption of atomic H and O on Pt, Ir, and bimetallic PtIry surfaces.

Effect of Zr Substitution on the Nd-based Magnets: Theoretical Investigation of (Zr,Nd)(Fe,Ti)12 Compounds

Journal of the Magnetics Society of Japan

Theoretically investigated the effect of Zr substitution on Nd-based magnets, specifically (Zr,Nd)(Fe,Ti)12 compounds.

Theoretical and experimental investigations on Fe2P-type magnets: Effects of Si and Co substitution on physical and magnetic properties

Physical Review Materials

Combined theoretical and experimental approaches to study the effects of Si and Co substitution on Fe2P-type magnets' properties.

Magnetic properties of rare-earth-lean ThMn12-type (Nd,X)Fe11Ti (X: Y and Ce) compounds: A DFT study

Journal of Magnetism and Magnetic Materials

Conducted a DFT study on the magnetic properties of rare-earth-lean ThMn12-type compounds.

Combined ab initio and experimental screening of phase stabilities in the Ce-Fe-Ti-X system (X= 3d and 4d metals)

Physical Review Materials

Combined computational and experimental methods to screen phase stabilities in complex Ce-Fe-Ti-X metallic systems.

Ab initio phase stabilities of rare-earth lean Nd-based hard magnets

Journal of Magnetism and Magnetic Materials

Examined the ab initio phase stabilities of rare-earth lean Nd-based hard magnets, providing insights into their magnetic characteristics.

Vacancy-based diffusion mechanism in B2-FeAl: DFT study

Computational Materials Science

Investigated vacancy-based diffusion mechanisms in B2-FeAl using Density Functional Theory (DFT) simulations.

Ab initio investigations of point and complex defect structures in B2-FeAl

Physical Review Materials

Conducted ab initio studies on point and complex defect structures within B2-FeAl alloys, contributing to understanding material properties.

Impact of magnetism on the phase stability of rare-earth based hard magnetic materials

CALPHAD: Comput. Coupling Phase Diagrams Thermochem.

Analyzed the influence of magnetism on the phase stability of rare-earth based hard magnetic materials through computational coupling phase diagrams.

Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams

Physical Review Materials

Investigated the phase stability of Ce-based hard magnetic materials using ab initio methods, comparing theoretical predictions with experimental phase diagrams.

Languages

English (Proficient - IELTS: 7.5)

Fluent

Turkish (Native)

Native

German (Intermediate - TestDaF: 2.2)

Conversational

Skills

Computational Materials Science

Ab Initio Calculations, Density Functional Theory (DFT), Computational Materials Design, Phase Stability, Thermodynamic Modeling, Quantum Mechanical Modeling, Atomistic Modeling, Multiscale Simulation.

Materials Characterization & Analysis

Magnetic Materials, Rare-Earth Materials, Fe-Al Alloys, Ti-Ta Shape Memory Alloys, Defect Analysis, Phase Transformations, Microstructure Analysis, Materials Properties.

Engineering & Simulation

Finite Element Method (FEM), CAE (Computer-Aided Engineering), Vehicle Structure & Aerodynamics, Durability Analysis, Multi Body Simulation, Mechanical Design, Topology Optimization, Design Optimization, Kinetic Monte Carlo (KMC).

Research & Development

Scientific Research, Experimental Validation, Data Analysis, Problem Solving, Methodology Development, Grant Writing, Scientific Writing, Project Management.

Programming & Software

Simulation Software (VASP, LAMMPS - inferred), Data Visualization Tools, Scripting (Python - inferred), High-Performance Computing (HPC), ANSA, META, PERMAS.

References

Dr. Tilmann Hickel

Head of Computational Phase Studies Group, Max-Planck-Institut für Eisenforschung, t.hickel@mpie.de, +49 211 6792 397

Prof. Dr. Jörg Neugebauer

Director of Computational Materials Design Department, Max-Planck-Institut für Eisenforschung, j.neugebauer@mpie.de, +49 211 6792 465

Projects

Durability calculations for composite and plastic components on vehicles

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Summary

Thermoset and thermoplastic materials are tested, validated and simulated on vehicles for rough road conditions

Multibody Simulations for FUSO

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Summary

MBS models prepared and run for FUSO vehicle projects for various rough road conditions

Adaptive Kinetic Monte Carlo simulations of phase transformations in Ti-Ta high temperature shape memory alloys

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Summary

Investigated phase transformations in Ti-Ta high temperature shape memory alloys using Adaptive Kinetic Monte Carlo simulations.

Combined ab initio and Kinetic Monte Carlo studies on nano-precipitates in steels

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Summary

Conducted combined *ab initio* and Kinetic Monte Carlo studies to understand nano-precipitate formation and behavior in steels.

Mechanical design of the shear forming and free flow forming machines and materials characterization of the samples

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Summary

Executed mechanical design for specialized forming machines and performed materials characterization for relevant samples.

Mechanical design of the autonomous underwater vehicle (AUV)

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Summary

Led the mechanical design of an autonomous underwater vehicle (AUV), focusing on operational criteria and performance capabilities.

Experimental investigations of adiabatic shear bands in pure copper

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Summary

Conducted experimental investigations into adiabatic shear bands in pure copper, analyzing material deformation under extreme conditions.

Mechanical design of Apollo solar car

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Summary

Contributed to the mechanical design of the Apollo solar car, focusing on lightweight and efficient structural components.