Haralambos Sarimveis

National Technical University of Athens — Greece

Engineering · Physical Sciences

50h-index7.2kcitations254works2.92yr avg
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Research Topics

Advanced Control Systems Optimization(61), Computational Drug Discovery Methods(53), Fault Detection and Control Systems(35), Neural Networks and Applications(26), Nanoparticles: synthesis and applications(20)

Publications254 total

Building trust in the integration of artificial intelligence into chemical risk assessment: findings from the 2024 ECETOC workshop
Archives of Toxicology·2026Open Access
A physics-informed neural network approach for estimating population-level pharmacokinetic parameters from aggregated concentration data
Journal of Pharmacokinetics and Pharmacodynamics·2026Open Access
In silico investigation of complexes formed between chemical UV filters and cyclodextrins in water
Journal of Molecular Graphics and Modelling·2026Open Access
Review on Predictive Models and Integration Strategies for Holistic Impact Assessment of Chemicals and Materials
Environmental Science & Technology·2026Open Access
An explicit model predictive control framework based on physics-informed neural networks
Journal of Process Control·2026Open Access
Cyclodextrins as Protective Hosts for Chemical UV Filters
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
Cyclodextrins as Protective Hosts for Chemical UV Filters
Zenodo (CERN European Organization for Nuclear Research)·2025Open Access
P25-24 A Multi-Route Permeability-Limited Physiologically-Based Kinetic Model for Perfluorooctanoic Acid Exposure in Male and Female Rats
Toxicology Letters·2025
Thermodynamics and Kinetics of the Deintercalation of a Novel Anthracycline from Double-Stranded Oligonucleotide DNA
The Journal of Physical Chemistry B·2025Open Access
Prediction of blood–brain barrier and Caco-2 permeability through the Enalos Cloud Platform: combining contrastive learning and atom-attention message passing neural networks
Journal of Cheminformatics·2025· 3 citedOpen Access
Titania: an integrated tool for in silico molecular property prediction and NAM-based modeling
Molecular Diversity·2025· 2 citedOpen Access
Small Molecules Targeting the Structural Dynamics of AR-V7 Partially Disordered Proteins Using Deep Ensemble Docking
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
The SABYDOMA Safety by Process Control framework for the production of functional, safe and sustainable nanomaterials
Computers & Chemical Engineering·2025Open Access
Control of wastewater treatment plants using economic-oriented MPC and attention-based RNN disturbance prediction models
Computers & Chemical Engineering·2025· 5 cited
Integrate & balance aspects for safe and sustainable innovation: Needs analysis on SSbD categories and product development stage requirements to cover the entire life cycle
Computational and Structural Biotechnology Journal·2025· 2 citedOpen Access
CHIASMA: Advancing chemicals and materials safety and sustainability assessments through innovative integration of in vitro and in silico (new approach) methodologies
Computational and Structural Biotechnology Journal·2025Open Access
Optimizing nanoparticle-mediated drug delivery: insights from compartmental modeling <i>via</i> the CompSafeNano cloud platform
RSC Sustainability·2025· 2 citedOpen Access
INSIGHT: An integrated framework for safe and sustainable chemical and material assessment
Computational and Structural Biotechnology Journal·2025· 8 citedOpen Access
Going digital to boost safe and sustainable materials innovation markets. The digital safe-and-sustainability-by-design innovation approach of the PINK project
Computational and Structural Biotechnology Journal·2025· 3 citedOpen Access
CompSafeNano project: NanoInformatics approaches for safe-by-design nanomaterials
Computational and Structural Biotechnology Journal·2024· 12 citedOpen Access
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Frequent Co-authors

Antreas Afantitis(15), Georgia Melagraki(15), Alex Alexandridis(12), N.C. Markatos(8), Philip Doganis(8), Pekka Kohonen(7), George Bafas(7), Panagiotis Patrinos(6), Roland Grafström(6), Dario Greco(6), Angela Serra(6), Tomasz Puzyn(6), Panayiotis A. Koutentis(6), Olga Igglessi‐Markopoulou(6), Egon Willighagen(5), Irene Liampa(5), Penny Nymark(5), Natasha Sanabria(5), Mary Gulumian(5), Panagiotis L. Zervas(4)