Ioannis Papadimitriou
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AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI at Centre for Research & Technology Hellas (CERTH)
Location: Evosmos, Central Macedonia, Greece 6 work roles 2 schools
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AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI
Location
Evosmos, Central Macedonia, Greece
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Ioannis Papadimitriou is listed as AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI at Centre for Research & Technology Hellas (CERTH), a with 595 employees, based in Evosmos, Central Macedonia, Greece. AeroLeads shows a matched LinkedIn profile for Ioannis Papadimitriou.

Ioannis Papadimitriou previously worked as Senior Research Fellow at Centre For Research & Technology Hellas (Certh) and Senior Research Associate at Imdea Materials. Ioannis Papadimitriou holds Doctor Of Philosophy (Ph.D.), Materials Science And Engineering from The University Of Sheffield.

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Centre for Research & Technology Hellas (CERTH)

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About Ioannis Papadimitriou

As a researcher and Full Stack AI Engineer with a PhD in Materials Science and Engineering, I lead a specialized research team exploring the intersection of materials science, AI, and quantum chemistry. My work focuses on leveraging AI techniques to deepen our understanding of quantum materials and enable advanced modeling approaches.With 20+ publications in leading journals, my expertise spans deep learning model engineering, quantum chemistry, and materials modeling. I specialize in developing and deploying AI models, with experience in AI-assisted Density Functional Theory (DFT) and end-to-end app development using TensorFlow, PyTorch, Hugging Face, and Scikit-learn. From fine-tuning transformers with LoRA/PEFT to engineering retrieval-augmented generation (RAG) systems, I bring hands-on expertise across text, graph, and image data modalities.Passionate about advancing AI-driven materials discovery, I focus on projects that bridge theoretical knowledge with applied AI, working closely with a team on foundational research and emerging applications.

Listed skills include Materials Science, Matlab, Scanning Electron Microscopy, Characterization, and 29 others.

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Centre for Research & Technology Hellas (CERTH)
Centre For Research & Technology Hellas (Certh)
AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI
thessaloniki, thessaloniki, greece
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595
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6 roles

Ioannis Papadimitriou work experience

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Senior Research Fellow

Current

- Guiding collaborative projects that integrate foundational AI models into materials science workflows, focusing on materials discovery, modeling, and real-time inference systems.- Spearheading small-team projects on multimodal RAG (retrieval-augmented generation) for real-time analysis and OCR models for data extraction in materials science applications.- Full-stack engineering across the model lifecycle, including fine-tuning (LoRA, PEFT), prompt engineering, and model optimization for cross-functional use cases.

Jan 2020 - Present

Senior Research Associate

Madrid Area, Spain

- Investigation of solid-solid and solid-liquid interfaces by means of DFT and MD.- Investigation and design of materials for energy storage.- Derivation of materials properties that are important within the framework of multiscale modelling of lightweight materials (Aluminium, Magnesium).- Calculation of higher order phase diagrams using DFT and Monte Carlo within the Cluster expansion framework.- Developed AI-assisted DFT simulations to streamline quantum chemistry processes, enhancing simulation accuracy and efficiency.

Jul 2017 - Sep 2019

Project Engineer

Coventry, United Kingdom

- Joinability Investigation of High Strength Steels to Aluminium alloys for automotive components- Formability Investigation and corrosion resistance of High Strength Steels and Aluminium alloys

May 2016 - Jun 2017

Research Fellow

Thessaloniki, Greece

- Development and test of operation of small-scale prototype systems of solar fuel reactors- Modelling of candidate catalytic materials for solar fuel reactors- Project management, coordination and dissemination of results

Jul 2015 - Dec 2015

Phd Student

Sheffield, United Kingdom

Project title : Phase Equilibria Studies in Nb-rich SystemsResearch involved investigating binary and ternary alloys important for next generation aerospace applications, using both experimental and computational techniques (Ab initio modelling and CALPHAD).Experimental techniques used include: • Melting processes for alloy production (arc-melting, induction-melting).• Spark plasma sintering (SPS)• Metallographic preparation of different kind of samples• Electron microscopy, energy dispersive x-ray spectroscopy (EDX), wavelength dispersive x–ray spectroscopy (WDX), electron backscatter diffraction (EBSD).• X ray diffraction (XRD), Differential thermal analysis (DTA).Computational techniques include:• First-principles calculations using CASTEP• Thermodynamic modelling of materials• Phase diagram creation and optimisation using CALPHAD technique and Thermocalc software.

Oct 2011 - Feb 2015

Science Teacher

Private Tutor

Thessaloniki, Greece

Oct 2006 - May 2011
Team & coworkers

Colleagues at Centre for Research & Technology Hellas (CERTH)

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2 education records

Ioannis Papadimitriou education

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What company does Ioannis Papadimitriou work for?

Ioannis Papadimitriou works for Centre for Research & Technology Hellas (CERTH).

What is Ioannis Papadimitriou's role at Centre for Research & Technology Hellas (CERTH)?

Ioannis Papadimitriou is listed as AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI at Centre for Research & Technology Hellas (CERTH).

Where is Ioannis Papadimitriou based?

Ioannis Papadimitriou is based in Evosmos, Central Macedonia, Greece while working with Centre for Research & Technology Hellas (CERTH).

What companies has Ioannis Papadimitriou worked for?

Ioannis Papadimitriou has worked for Centre For Research & Technology Hellas (Certh), Imdea Materials, Wmg, University Of Warwick, University Of Sheffield, and Private Tutor.

Who are Ioannis Papadimitriou's colleagues at Centre for Research & Technology Hellas (CERTH)?

Ioannis Papadimitriou's colleagues at Centre for Research & Technology Hellas (CERTH) include Spartakos Kelasidis, Konstantinos Apostolidis, Sofia Polymeni, Dimitrios Tolikas, and Antonis Drosos.

How can I contact Ioannis Papadimitriou?

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What schools did Ioannis Papadimitriou attend?

Ioannis Papadimitriou holds Doctor Of Philosophy (Ph.D.), Materials Science And Engineering from The University Of Sheffield.

What skills is Ioannis Papadimitriou known for?

Ioannis Papadimitriou is listed with skills including Materials Science, Matlab, Scanning Electron Microscopy, Characterization, Science, Thermodynamics, Mathematica, and Computational Physics.

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