#

Saleh Alarfaji

Room: A46, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxsa6@nottingham.ac.uk

RESEARCH INTERESTS

"My project involves using state of the art ab initio methods to calculate the electronic structures and absorption spectra of small chromophores due their importance in the spectroscopy of proteins in the near UV region"

#

Michelle Bound

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

Eric Brazil Lindgren

Room: A48, School of Chemistry

Website: http://ebesley.chem.nottingham.ac.uk/people/lindgren.html

email: pcxeb3@nottingham.ac.uk

RESEARCH INTERESTS

Electrostatic interactions of charged particles

PUBLICATIONS

A general geometric representation of sphere-sphere interactions. Chan, H.-K., Lindgren, E. B., Stace, A. J. and Bichoutskaia, E. Progress in Theoretical Chemistry and Physics, 2014, 29


#

Edward Briggs

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

James Furness

Room: A48, School of Chemistry

Website: http://teale.chem.nottingham.ac.uk

email: pcxjf1@exmail.nottingham.ac.uk

RESEARCH INTERESTS

Current-Density Functional Theory for molecules in magnetic fields and Orbital Dependent Density Functional Approximations

PUBLICATIONS

Furness, J. W.; Verbeke, J.; Tellgren, E. I.; Stopkowicz, S.; Ekström, U.; Helgaker, T.; Teale, A. M., J. Chem. Theory Comput., 11 (9), 150814133148007. (2015)

DOI: http://dx.doi.org/10.1021/acs.jctc.5b00535

Tellgren, E. I.; Teale, A. M.; Furness, J. W.; Lange, K. K.; Ekström, U.; Helgaker, T. J., Chem. Phys., 140 (3), 034101–034112. (2014)

DOI: http://dx.doi.org/10.1063/1.4861427


#

Rachel Hill

Room: A11, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxrh@nottingham.ac.uk

RESEARCH INTERESTS

Molecular dynamics simulations of proteins

#

Fouad Husseini

Room: A48, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxfh2@nottingham.ac.uk

RESEARCH INTERESTS

Conformational, and structural activity analysis of receptor-bound complexes and membrane bound proteins, using Molecular Dynamics Simulations and 2D Infrared Spectroscopy.

#

Tom Irons

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

Zhuo Li

Room: A47, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxzl1@nottingham.ac.uk

RESEARCH INTERESTS

Calculation of near-ultraviolet circular dichroism (CD). My research involves ab initio calculation on circular dichroism spectrum of protein in near-UV. Efforts will be made to include vibronic coupling to improve the calculation result.


#

Sam Mulholland

Room: A5, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxsm12@nottingham.ac.uk

RESEARCH INTERESTS

My project involves molecular dynamic simulations, alongside docking calculations, to investigate how lantibiotic peptides interact with the cell walls of bacteria. This project involves close collaboration with the Bonev group in Biomedical Sciences, here at the University of Nottingham, who use complementary NMR techniques such as magnetic resonance, electron microscopy and neutron scattering to probe these biomembranes.


#

Liu Qu

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

Stephen Skowron

Room: A47, School of Chemistry

Website: http://ebesley.chem.nottingham.ac.uk/people/skowron.html

email: pcxstsk@nottingham.ac.uk

RESEARCH INTERESTS

Electron-beam induced structural changes of carbon nanomaterials; using TEM as a tool for chemical kinetics; e-beam induced reactions of nanotube-encapsulated molecular species.

PUBLICATIONS

Energetics of atomic scale structure changes in graphene.

Skowron, S. T., Lebedeva, I. V., Popov, A. M., & Bichoutskaia, E., Chem. Soc. Rev., 2015, 44, 3143–3176. DOI: 10.1039/C4CS00499J


Isotope substitution extends the lifetime of organic molecules in transmission electron microscopy.

Chamberlain, T. W., Biskupek, J., Skowron, S. T., Bayliss, P. A., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N.

Small, 2014, 11, 622-629. DOI: 10.1002/smll.201402081


Approaches to modelling irradiation-induced processes in transmission electron microscopy.

Skowron, S. T., Lebedeva, I., Popov, A. and Bichoutskaia, E., Nanoscale, 2013, 5, 6677-6692. DOI: 10.1039/C3NR02130K


#

Christian Suess

Room: A47, School of Chemistry

Website: http://comp.chem.nottingham.ac.uk/

email: pcxcs7@nottingham.ac.uk

RESEARCH INTERESTS

My project makes use of quantum mechanical methods to calculate the excited states of porphyrins and porphyrin based complexes such as hemoglobin. From these calculated values we can predict rates of both electron and excitation energy transfer as well as being able to able to compute spectra for each system.


#

Pritesh Tailor

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

Elena Uteva

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS

#

Jack Wadey

Room: A48, School of Chemistry

Website: http://ebesley.chem.nottingham.ac.uk/people/wadey.html

email: pcxjdwa@nottingham.ac.uk

RESEARCH INTERESTS

The structure and dynamics of lattice defects within graphene.

PUBLICATIONS

Quantum chemical calculations of X-ray emission spectroscopy

Wadey, J. D. and Besley, N. A.

J. Chem. Theory Comput., 2014, 10, 4557-4564

10.1021/ct500566k


The structure and bonding of mixed component radical cation clusters

Wadey, J. D. and Besley, N. A.

Chem. Phys. Lett., 2014, 601, 110-115

10.1016/j.cplett.2014.03.081


#

Jing Wang

Room: XX, School of Chemistry

Website:

email:

RESEARCH INTERESTS

PUBLICATIONS