Computetional Physicicalchemistry

The Laboratory of Computational Physical Chemistry supports the educational and research activities of the Department by addressing teaching needs and advancing the field of computational physical chemistry. It provides specialized services in molecular simulation and contributes to integrating education with cutting-edge research. Its activities include conducting independent research projects, organizing educational programs and scientific events, participating in collaborations with other institutions and organizations, and training students through laboratory exercises. Additionally, the laboratory disseminates scientific knowledge through publications and conference participation, promotes interdisciplinary collaboration, and contributes to public education on contemporary physical chemistry issues with broader societal implications.

Laboratory Details

Laboratory Title: Computetional Physicicalchemistry

Faculty: Faculty of Health Sciences

School: Molecular Biology and Genetics

Email: gbouloug@mbg.duth.gr

Telephone: +302551030637

Website:

Official Gazette of Establishment:

Introduction - Presentation

The Laboratory of Computational Physical Chemistry supports the educational and research activities of the Department by addressing teaching needs and advancing the field of computational physical chemistry. It provides specialized services in molecular simulation and contributes to integrating education with cutting-edge research. Its activities include conducting independent research projects, organizing educational programs and scientific events, participating in collaborations with other institutions and organizations, and training students through laboratory exercises. Additionally, the laboratory disseminates scientific knowledge through publications and conference participation, promotes interdisciplinary collaboration, and contributes to public education on contemporary physical chemistry issues with broader societal implications.

Field of Research

Computetional Physicical Chemistry

Laboratory Members

Name	Position/Capacity	Email	Telephone
Georgios Boulougouris	Director	gbouloug@mbg.duth.gr	'+302551030637
Konstantina Vaitsi	PhD Candidate	kbaitsi@gmail.com	'+302551030637

Featured Research Programs

Programme Title	Duration	Funding
Development and prototyping of an innovative method for rapid differential diagnosis and rational selection of personalized treatment in inflammatory diseases based on disease-specific expression of cytokines during NETosis of peripheral blood neutrophils.	9/2019-9/2023	EYDE-ETAK
“InTechThrace: Integrated Technologies in biomedical research: multilevel biomarker analysis in Thrace” (MIS 5047285), P.I. M. Koffa)	16/12/2020 - 19/09/2023	ΕΣΠΑ
‘Strategy for Excellence in Universities & Innovation’ (Action Code 16289), under the sub-project ‘Universities of Excellence (SUB2)’ P.I. κοινοπραξίας/Ε.Υ. ΔΠΘ Μιχαήλ Κουκουράκης)	2024-2025	Greek National Recovery and Resilience Plan ‘Greece 2.0’, funded by the European Union – NextGenerationEU.

Featured Publications

Chronological Order	APP	doi
2026	2026 Alchemical space exploration in drug design via stochastic expanding boundary optimization search. Phys Chem Chem Phys. 2026;28(5):3743-3758.	doi:10.1039/D5CP03785A
2026	2026 On the Use of Algebra in Genetics: From Phenotype to Genotype , Mathematics, 2026, 14, 1987	doi:10.3390/math14111987
2026	2026 On the Use of Algebra in Genetics II: Shannon’s Genetic Algebra, from Population to Sample Studies, Mathematics, 2026, 14, 2168.	doi:10.3390/math14122168