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Dr. Laura Baliulytė

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Institute / Center

Institute of Chemical Physics (ICP)
Research Area

Chemical physics, Computational chemistry, Molecular modelling
Present position

Research fellow
Scientific Interests, Keywords
Molecular aggregation; Molecular self-assembly; Quantum chemistry; Theoretical chemistry; Stereochemistry; High-performance computing; Force Field Parametrisation
Links to External Profile

 https://orcid.org/0000-0001-8714-0345
Project and/or Grant leadership

2024 12 11- 2025 06 11 ‘‘Molecular dynamics of TPPS4 aggregates” (EHPC-DEV-2024D11-038). EuroHPC JU Call for Proposals for Development Access.

2021 10 02-2021 10 31 HPC-Europa3 Transnational Access programme
Expertise    Member of national HPC competences center (NCC) of Lithuania (2023-)
Science popularization: scientific and educational activities  
Participating in event of „Tyrėjų naktis“, Biophysics Week 2026
Link to Personal website

https://www.researchgate.net/profile/Laura_Baliulyte
Most important publications
  1. Baliulyte, L., Urniezius, E., Bubilaitis, V., Macernis, M., Cupellini, L., & Abramavicius, D. (2025). Origins of curvature in meso-tetra (4-sulfonatophenyl) porphine aggregation: molecular dynamics and electronic spectroscopy. Molecular Systems Design & Engineering.
  2. Baliulyte, L., Abramavicius, D., Bagdonas, S., Kalnaityte, A., Poderys, V., Rotomskis, R., & Barzda, V. (2023). Comparative quantum chemical and spectral characterization of meso-tetra (4-sulfonatophenyl) porphine forms as seeds for J-and H-aggregates. AIP Advances, 13(10).
  3. Tamuliene J., Romanova L., Vukstich V., Papp A., Baliulyte L., Snegursky A. The impact of low-energy ionizing radiation on glutamine. International Journal of Mass Spectrometry 2019; 444.
  4. Baliulyte L., Tamuliene J., On the influence of water on fragmentation of the amino acid L- threonine. Open physics 2019; 17(1):250-262.
  5. Tamuliene J., Romanova L., Vukstich V., Papp A., Baliulyte L., Snegursky A., On the influence of low-energy ionizing radiation on the amino acid molecule: valine. Lithuanian Journal of Physics 2018; 58(2).
  6. Tamuliene J., Romanova L., Vukstich V., Papp A., Shkurin S., Baliulyte L., & Snegursky A. On the influence of low-energy ionizing radiation on the amino acid molecule: proline. The European Physical Journal D 2016;70(6):1-10.
Teaching Courses
  • Introduction to Computational Chemistry (one lecture and all seminars)

 

 

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