"Imagination is more important than knowledge."

--Albert Einstein

• Currently Researcher @ Lattice Studio Labs LLC — AI-driven materials discovery & characterization
• Former Research Scientist @ Fordham University — SAFE database & ML pipelines for rare earth chemistry
• Visiting Researcher @ Los Alamos National Laboratory (Theoretical Division) — LLM pretraining for molecular discovery
• Former Adjunct Professor @ St. Thomas University — Big Data Analytics & Data Warehousing
• B.A. Chemistry & M.S. Management & Systems @ New York University
• 0000-0002-9596-9919

• AI/ML for computational chemical discovery 🧪
• F-element (lanthanide/actinide) separation chemistry ⚛
• LLM fine-tuning and domain-specific model development 🤖
• High-performance computing on NVIDIA GPU infrastructure (H100, NERSC) 🖥
• Open-source scientific database development 💾
• Bridging ML techniques with experimental chemistry workflows 🔗
• Nanomaterial design and radiation shielding compounds 🛡

The largest open-source actinide/lanthanide solvent extraction data repository, with 8,057+ curated measurements across 295 unique ligand molecules. Built with a Python/LLM pipeline in collaboration with LANL chemists and data scientists. Contributes to DOE-funded Heavy Element Chemistry research.

📄 Karamalis, V., et al. (2025). Solvent Extraction and Ion Exchange. 🌐 safe.lanl.gov

Computational modeling for a novel multi-layered thin-film compound with radiation shielding properties.

📋 Provisional U.S. Patent Application No. 63/567538

End-to-end deep learning workflow for chemical property prediction, benchmarked on NERSC-hosted NVIDIA H100 GPUs.

📎 ML Chemical Repository

AI/ML: Python · PyTorch · TensorFlow · LLM fine-tuning · MLIPs · RDKit
NVIDIA / HPC: JAX · NIM · H100 GPU optimization · NERSC · Alchemi
Cloud: GCP · AWS · Azure · Kubernetes
Domain: Separation chemistry · Lanthanide/actinide systems · Ligand chemistry · Nanomaterials

• Karamalis, V., et al. (2025). Creation of the Separation Archive for Elements (SAFE) Database. Solvent Extraction and Ion Exchange. https://doi.org/10.1080/07366299.2025.2564381
• Lee, J., Karamalis, V. (Contributor). (2024). Machine learning-aided chemical kinetic modeling. Doctoral dissertation, University of Texas. https://doi.org/10.26153/TSW/55747
• Karamalis, V. (2024). Mantel Material — Radiation Shielding Compound. Provisional U.S. Patent Application No. 63/567538.

🏛 Royal Society of Chemistry (767030)
🏛 Royal Society for Arts, Manufactures & Commerce (Fellow)
📋 Project Management Institute — PMP (539366)

📫 victor.karamalis@nyu.edu | 🔗 Credly | 💻 GitHub