Dr Sarantos Marinakis

Arthur Edwards Building
Room AE 4.40, School of Health, Sport & Bioscience
University of East London
Water Lane
London
E15 4LZ
s.marinakis@uel.ac.uk +44208236473

I studied Chemistry at the Department of Chemistry (University of Athens, Greece), then an MSc in Physical Chemistry at the same University and then completed a DPhil in Physical Chemistry in the Department of Chemistry at the University of Oxford (UK).

I worked as a post-doctoral researcher at the Heriot-Watt University (Edinburgh, UK) and Pierre & Marie Curie (Paris, France), and University of Oxford. I joined as a lecturer the Queen Mary University of London in 2013, and the University of East London in 2018. I became a Senior Lecturer in July 2019.

My research investigates the dynamics in van der Waals' system of open-shell (radicals) complexes using high-resolution spectroscopy and quantum scattering calculations and the properties of supercritical gases. This work has direct applications in astrophysical chemistry, combustion and materials science. More recently, I started to work in inorganic systems that are related with arts and archaeology, and with calculations on biologically relevant compounds.

Accreditations

Dr Sarantos Marinakis became a Fellow of the Higher Educations Academy in 2015, member of the American Chemical Society in 2009, member of the Royal Society of Chemistry in 2001, and member of the Greek Society of Chemistry in 1997.

External Roles

Referee for:
EPSRC-UK, Marie Sklodowska-Curie Individual Fellowships, RSC Foundation undergraduate summer research bursaries, Proposals for GRNET High Performance Computing Services, for Books (OUP, Pearson), for many scientific journals.

Overview

I Ab initio quantum mechanical calculations of van der Waals complexes
Astrophysical chemistry
Cold molecules
Experimental and theoretical studies of gas phase collisions
Experimental and theoretical studies of nitric oxide complexes
Neutron scattering and molecular dynamics simulation of supercritical fluids
Studies of indocyanine green, and antibiotics
Terahertz spectroscopy
Inorganic pigments in paintings & archaeological chemistry

Collaborators

test

Research

1.
S. Marinakis, I. Kerkines, 'Chemical Warfare Agents', Greek Military Review, 5, 106-121 (2002)

2.
M. Brouard, I. Burak, S. Marinakis, D. Minayev, P. O’ Keeffe, C. Vallance, F. J. Aoiz, L. Bañares, J. F. Castillo, D. H. Zhang, D. Xie, M. Yang, S. – Y. Lee, M. A. Collins, 'Cross section for the H + H2O abstraction reaction: experiment and theory', Phys. Rev. Lett. 90, 093201-4 (2003) DOI: 10.1103/PhysRevLett.90.093201

3.
M. Brouard, S. Marinakis, L. Rubio Lago, F. Quadrini, D. Solaiman, C. Vallance, F. J. Aoiz, L. Bañares, J. F. Castillo, 'Cross-sections for the H + H2O→OH + H2 and H + D2O→OD + HD abstraction reactions', Phys. Chem. Chem. Phys. 6, 4991-9 (2004) DOI: 10.1039/B409667C

4.
M. Brouard, I. Burak, S. Marinakis, L. Rubio Lago, P. Tampkins, C. Vallance, 'Product spin-orbit dependence of the H + H2O and H + D2O abstraction reactions', J. Chem. Phys. 121, 10426-10436 (2004) DOI: 10.1063/1.1809578

5.
S. Marinakis, I. Samios, 'The temperature and density dependence of fluid xenon self-diffusion coefficients: a comparison between experimental, theoretical and molecular dynamics results', J. Supercrit. Fluids 34, 81-9 (2005) DOI: 10.1016/j.supflu.2004.10.002

6.
M. Brouard, A. Bryant, I. Burak, S. Marinakis, F. Quadrini, I. Garcia, C. Vallance, 'Collisional depolarisation of OH(A) studied by Zeeman quantum beat spectroscopy', Molec. Phys. 103, 1693-1702 (2005) DOI: 10.1080/00268970500096293

7.
J. Kłos, F. J. Aoiz, J. E. Verdasco, M. Brouard, S. Marinakis, S. Stolte, 'Fully quantum state-resolved inelastic scattering between He and NO(X 2Π)', J. Chem. Phys. 127, 031102(4pp) (2007) DOI: 10.1063/1.2756826

8.
S. Marinakis, G. Paterson, J. Kłos, M. L. Costen, K. G. McKendrick, 'Inelastic scattering of OH(X2Π) with Ar and He: A combined polarisation spectroscopy and quantum scattering study', Phys. Chem. Chem. Phys. 9, 4414-4426 (2007) (by invitation) DOI: 10.1039/B703909C

9.
S. Marinakis, G. Paterson, G. Richmond, M. Rockingham, M. L. Costen, K. G. McKendrick, 'Rotational angular momentum polarisation: The influence of stray magnetic fields', J. Chem. Phys. 128, 021101(4pp) (2008) DOI: 10.1063/1.2829111

10.
M. Chalaris, S. Marinakis, D. Dellis, 'Temperature effects on the structure and dynamics of liquid dimethyl sulfoxide: A molecular dynamics study', Fluid Phase Equilib.267, 47-60 (2008) DOI:

11.
M. L. Costen, S. Marinakis, K. G. McKendrick, 'Do vectors point the way to understanding energy transfer in molecular collisions?', Chem. Soc. Revs (by invitation) 37, 732-743 (2008) DOI: 10.1039/B618070C

12.
G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick, J. Kłos, R. Toboła, 'Orientation and alignment depolarisation in OH(X2Π) + Αr/He collisions', J. Chem. Phys. 129, 074304 (18pp) (2008) DOI: 10.1063/1.2967861

13.
M. Brouard, A. Bryant, Y.-P. Chang, R. Cireasa, C. J. Eyles, A. Green, S. Marinakis, F. J. Aoiz, J. Kłos, 'Collisional depolarisation of OH(A) with Ar: experiment and theory', J. Chem. Phys. 130, 044306(12pp) (2009) DOI: 10.1063/1.3061551

14.
G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick, 'Depolarisation of rotational angular momentum in open-shell collisions: OH + rare gases', Phys. Scripta 80, 048111(7pp) (2009) (by invitation) DOI: 10.1088/0031-8949/80/04/048111

15.
G. Paterson, S. Marinakis, J. Kłos, M. L. Costen, K. G. McKendrick, 'Depolarisation of rotational orientation and alignment in OH(2Π) + Xe collisions', Phys. Chem. Chem. Phys. 11, 8804(9pp) (2009) DOI: 10.1039/B909050A

16.
G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick, 'Depolarisation of rotational orientation and alignment of OH(2Π) in collisions with molecular partners: N2 and O2', Phys. Chem. Chem. Phys. 11, 8813(8pp) (2009) DOI: 10.1039/B909051G

17.
F. J. Aoiz, J. E. Verdasco, M. Brouard, J. Kłos, S. Marinakis, S. Stolte, 'Inelastic scattering of He atoms and NO(X2Π) molecules: The role of parity on the differential cross section', J. Phys. Chem. A 113, 14636(14pp) (2009) DOI: 10.1021/jp9043732

18.
G. Paterson, S. Marinakis, M. L. Costen, K. G. McKendrick, J. Kłos, R. Toboła, 'Erratum: Orientation and alignment depolarisation in OH(X2Π) + Αr/He collisions', J. Chem. Phys. 131, 159901(3pp) (2009) DOI: 10.1063/1.3243457

19.
S. Marinakis, B. J. Howard, F. J. Aoiz, J. Kłos, 'Product rotational alignment in NO(X) + Kr collisions', Chem. Phys. Lett. 512, 161-6 (2011) DOI: 10.1016/j.cplett.2011.07.011

20.
G. Sarma, S. Marinakis, J. J. ter Meulen, D. H. Parker, K. G. McKendrick, 'Velocity-Map Imaging of Hydroxyl: Inelastic scattering with Ar and He', Nature Chem. 4, 985-9 (2012) DOI: 10.1038/nchem.1480

21.
M. Brouard, H. Chadwick, Y.-P. Chang, B. J. Howard, S. Marinakis, N. Screen, S. A. Seamons, A. La Via, 'Hyperfine structure of NO(A2S+)', J. Mol. Spec., 282, 42-9 (2012) DOI: 10.1016/j.jms.2012.11.003

22.
O. Denis-Alpizar, T. Stoecklin, P. Halvick, M.-L. Dubernet, S. Marinakis, 'Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex', J. Chem. Phys., 137, 234301(7pp) (2012) DOI: 10.1063/1.4771658

23.
M.-L. Dubernet* et al., 'BASECOL2012: A Collisional Database Repository and Web Service within the VAMDC', Astron. Astrophys., 553, A50(14pp) (2013) DOI: 10.1051/0004-6361/201220630

24.
Y. Kalugina, F. Lique, S. Marinakis, 'New ab initio potential energy surfaces for the ro-vibrational excitation of OH(X2Π) by He', Phys. Chem. Chem. Phys. 16, 13500-7 (2014) DOI: 10.1039/C4CP01473A

25.
G. Sarma, A. K. Saha, J. J. ter Meulen, D. H. Parker, S. Marinakis, 'Differential and integral cross sections in OH(X) + Xe collisions', J. Chem. Phys. 142, 034309(7pp) (2015) DOI: 10.1063/1.4906070

26.
R. Hockley, H. Irshad, T. S. Sheriff, M. Motevalli, S. Marinakis, 'Crystal structure of bromidonitrosylbis(triphenylphosphane-
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P)nickel(II)', Acta Cryst. E71, m87-8 (2015) DOI: 10.1107/S2056989015004703

27.
S. Marinakis, I. L. Dean, J. Kłos, F. Lique, 'Collisional excitation of CH(X2Π) by He: New ab initio potential energy surfaces and scattering calculations', Phys. Chem. Chem. Phys., 17, 21583-93 (2015) DOI: 10.1039/C5CP03696H

28.
S. Marinakis, Y. Kalugina, F. Lique, 'The hyperfine excitation of OH radicals by He', Eur. Phys.J. D, 70, 97(7pp) (2016) DOI: 10.1140/epjd/e2016-70068-x
Erratum: S. Marinakis, Y. Kalugina, F. Lique, 'Erratum to: The hyperfine excitation of OH radicals by He', Eur. Phys.J. D, 73, 92(1pp) (2019) DOI: 10.1140/epjd/e2019-100135-9

29.
G. Sarma, A. K. Saha, C. K. Bishwakarma, R. Scheidsbach, C.-H. Yang, D. Parker, L. Wiesenfeld, U. Buck, L. Mavridis, S. Marinakis, 'Collision energy dependence of state-to-state differential cross sections for rotationally inelastic scattering of H2O by He', Phys. Chem. Chem. Phys., 19, 4678-87 (2017) DOI: 10.1039/C6CP06495G

30.
D. Dellis, I. Samios, B. Collet, H. Versmold, J. Kłos, S. Marinakis, 'A computer simulation study of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixtures', J. Mol. Liq., 245, 42-51 (2017) DOI: 10.1016/j.molliq.2017.06.026

31.
F. Lique, I. Jiménez-Serra, S. Viti, S. Marinakis, 'Collisional excitation of PO(X) by He: New ab initio potential energy surfaces and scattering calculations', Phys. Chem. Chem. Phys., 20, 5407-5414 (2018), DOI: 10.1039/C7CP05605B

32.
A. Soper, I. Skarmoutsos, J. Kłos, I. Samios, S. Marinakis, 'A study of Ar-N2 supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations', J. Mol. Liq., 290, 111168(14pp), DOI: 10.1016/j.molliq.2019.111168

33.
S. Marinakis, Y. Kalugina, J. Kłos, F. Lique, 'Hyperfine excitation of CH and OH radicals by He', Astron. Astrophys., 629, A130(5pp) DOI: 10.1051/0004-6361/201936170

34. V. M. Rivilla, M. N. Drozdovskaya, K. Altwegg, P. Caselli, M. T. Beltrán, F. Fontani, F. F. S. van der Tak, R. Cesaroni, A. Vasyunin, M. Rubin, F. Lique, S. Marinakis, L. Testi, and the ROSINA team, 'ALMA and ROSINA detections of phosphorus-bearing molecules: the interstellar thread between star-forming regions and comets', Mon. Notices Royal Astron. Soc., 492, 1180-98 (2020), DOI: 10.1093/mnras/stz3336

35.
C. Cockrell, O. Dicks, L. Wang, K. Trachenko, A. Soper, V. V. Brazhkin, S. Marinakis*, 'Experimental and modelling evidence for structural crossover in supercritical CO2', Phys. Rev. E, 101, 052109(6pp) (2020) DOI: 10.1103/PhysRevE.101.052109

Publications

2019 Science and Technology Facilities Council (STFC); 'Watching the birth and death of chemical bonds with pulsed neutrons: The case of nitric oxide'; Awarded

2019 UEL Internal Internship; 'Monitoring the air-pollution in the most affected areas in Tower Hamlets, London'; Awarded £3545

2018 Science and Technology Facilities Council (STFC); 'Microscopic structure of nitric oxide (NO): A comparison between experiments and theory'; Notional value £38.16k

2017 Science and Technology Facilities Council (STFC); 'Microscopic structure as an evidence for a new thermodynamic boundary in supercritical CO2: A comparison between experiments and theory'; Notional value £114.48k

2016 Science and Technology Facilities Council (STFC); 'Local intermolecular structure and dynamics in binary supercritical mixtures'; Notional value £127.7k

2016 European Cooperation in Science and Technology - COST, Chemistry and Molecular Sciences and Technologies (CMST) CM1401; Awarded 750 €

2015 Centre for Public Engagement, QMUL; Awarded 200 GBP to prepare a podcast

2015 Science without Borders; Awarded 1200 GBP to train Brazilian undergraduate student in chemistry research methods

2014 UK National Service for Computational Chemistry Software; Awarded 95000 CPU hours

2013 Lockey Committee travel bursary to attend a Conference

2012 Lockey Committee travel bursary to attend a Conference

2012 Oxford Supercomputing Centre; Awarded 25000 CPU hours

2011 University of Athens, Greece (computational time and software for studies of biological molecules)

2011 UK National Service for Computational Chemistry Software; Awarded 71000 CPU hours

2011 Oxford Supercomputing Centre; Awarded 3500 CPU hours

2010 British Council-Platform Beta Techniek Programme in Science to collaborate with Prof. Parker’s group (Nijmegen, NL)

2008 Collaborative Computational Project on Molecular Quantum Dynamics (CCP6) travel bursary to collaborate with Dr Althorpe's group (Cambridge, UK)

2008 British Council support to develop a collaboration with Dr Bassi's group (Milan, Italy)

2007 British Council-NWO Partnership Programme in Science (PPS 883) to collaborate with Prof. Stolte's group (Amsterdam, NL)

2001-2005 D. Phil. scholarship for studies abroad (awarded after competitive written examinations) from the Greek State Scholarships Foundation (IKY)

1998 Award based on performance from the Greek State Scholarships Foundation (IKY)

Funding

Ab initio calculations of van der Waals complexes, density functional theory calculations and infra-red/Raman/ultra-violet/visible spectroscopy of biologically relevant molecules (nitrosyl complexes and dyes), inelastic scattering, laser induced fluorescence, microwave spectroscopy, molecular astrochemistry, molecular dynamics simulations, neutron scattering, polarization spectroscopy, quantum-mechanical scattering calculations, quasi-classical trajectory calculations, reaction dynamics, and transport and relaxation properties of supercritical fluids

Interests

Portfolio

BS4110 Fundamentals of Physical Chemistry
BS5116 (formerly PP5016)
BS5108
PP6009 Research Project
PP6019

Senior Lecturer in Inorganic and Physical Chemistry