Ioannis Papadimitriou Email and Phone Number
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.
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Senior Research FellowCentre For Research & Technology Hellas (Certh) Jan 2020 - Present- 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.
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Senior Research AssociateImdea Materials Jul 2017 - Sep 2019Madrid 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. -
Project EngineerWmg, University Of Warwick May 2016 - Jun 2017Coventry, 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 -
Research FellowCentre For Research & Technology Hellas (Certh) Jul 2015 - Dec 2015Thessaloniki, 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
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Phd StudentUniversity Of Sheffield Oct 2011 - Feb 2015Sheffield, United KingdomProject 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. -
Science TeacherPrivate Tutor Oct 2006 - May 2011Thessaloniki, Greece
Ioannis Papadimitriou Skills
Ioannis Papadimitriou Education Details
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Materials Science And Engineering
Frequently Asked Questions about Ioannis Papadimitriou
What company does Ioannis Papadimitriou work for?
Ioannis Papadimitriou works for Centre For Research & Technology Hellas (Certh)
What is Ioannis Papadimitriou's role at the current company?
Ioannis Papadimitriou's current role is AI & Materials Science Researcher | Full Stack AI Engineer | Quantum Chemistry & Materials Modeling Specialist | 20+ Publications in Quantum Materials & AI.
What schools did Ioannis Papadimitriou attend?
Ioannis Papadimitriou attended The University Of Sheffield, Aristoteleion Panepistimion Thessalonikis.
What are some of Ioannis Papadimitriou's interests?
Ioannis Papadimitriou has interest in Physical Metallurgy, Castep, Quantum Espresso, Mechanical Testing, Thermodynamics And Kinetics, Dictra, Electron Microscopy, Powder Metallurgy, Phase Diagrams Creation And Assessment.
What skills is Ioannis Papadimitriou known for?
Ioannis Papadimitriou has skills like Materials Science, Matlab, Scanning Electron Microscopy, Characterization, Science, Thermodynamics, Mathematica, Computational Physics, Physics, Numerical Analysis, Fortran, Materials.
Who are Ioannis Papadimitriou's colleagues?
Ioannis Papadimitriou's colleagues are Alexandros Kalpazidis, Angeliki Kitsopoulou, Theodora Patsakidou, Charis Papadopoulos, Athanasios Papadopoulos, Meng, Phd, Konstantina Milousi, Georgios Skoulatakis.
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Ioannis Papadimitriou
Army Officer | Mba | Hr Generalist, Programming And Tech EnthusiastÁgioi Anárgyroi
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