Computational and Theoretical Chemistry

Phone+44 (0)117 33 17680
EmailLesley.Barry@bristol.ac.uk

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School of Chemistry University of Bristol Cantock's Close Bristol BS8 1TS
United Kingdom

1 Active
2 Not started
49 Finished

1 - 50 out of 52 results

Active
Mitigation of non-CO2 climate impact of civil aviation - Aerospace Engineering/Atmospheric Chemistry collaboration
Bullock, S., Lowenberg , M. H., Shallcross, D. E., Khan, M. A. H. & Tait, K. N.
1/10/20 → 1/04/24
Project: Research
Not started

Topic A. Hydrogen Emissions: Constraining The Earth system Response (HECTER)
Shallcross, D. E. & Khan, M. A. H.
Project: Research
A scientist just like me – portraits of scientists working in the Environmental Sciences
Shallcross, D. E. & Khan, M. A. H.
Project: Research
Finished
Discipline Hopping for Environmental Solutions: Aerospace/Atmospheric Chemistry
Bullock, S., Lowenberg , M. H., Shallcross, D. E., Khan, M. A. H. & Tait, K. N.
1/01/22 → 31/03/22
Project: Research
VR and dance-somatic practices as tools for embodied perception and living well in our environment
Thomas, L. M., Leonards, U. B., Glowacki, D. R., Metatla, O., O'Connor, M. & Baynes, A.
25/02/19 → 19/07/19
Project: Research
Supporting greenhouse gas inventory development in Africa
Rigby, M. L. & Ganesan, A. L.
1/03/18 → 31/07/18
Project: Research
Air-quality measurement arrays for urban, industrial and rural Thailand
Matthews, J. C. & Shallcross, D. E.
9/02/18 → 31/07/18
Project: Research
Supervised learning to support the optimisation of chemical reactions
Fey, N. & Swallow, B. T.
17/04/17 → 31/07/17
Project: Research
Embedded mean-field theory: chemical simulation in complex environments
Manby, F. R.
1/02/15 → 31/05/18
Project: Research
Condensed Phase Quantum Dynamics.
Mulholland, A. J.
1/10/14 → 30/09/17
Project: Research
Computational tools for enzyme engineering: bridging the gap between enzymologists and expert simulation
Mulholland, A. J.
15/07/14 → 15/06/16
Project: Research
New Frontiers in Aerosol Measurements
Royall, C. P. & Reid, J. P.
30/03/14 → 29/08/17
Project: Research
Urban oxidising capacity measurements using inert and reactive tracers
Shallcross, D. E.
1/01/14 → 31/03/17
Project: Research
Advanced computing architecture to support the estimation and reporting of UK GHG emissions
Rigby, M. L.
13/11/13 → 13/10/15
Project: Research
The UK High-End Computing Consortium for Biomolecular Simulation
Mulholland, A. J.
1/11/13 → 31/01/19
Project: Research
Inquire: Software for real-time analysis of binding
Mulholland, A. J.
5/09/13 → 5/09/14
Project: Research
GAUGE: Greenhouse Gas UK & Global Emissions (GUAGE)
Palmer, P., Rigby, M. L., Stavert, A. R., Wenger, A., Young, T. D. S. & O'Doherty, S.
30/06/13 → 29/09/17
Project: Research
Gas phase studies of the kinetics of Criegee Intermediates
Shallcross, D. E. & Orr-Ewing, A. J.
30/06/13 → 31/12/16
Project: Research
Scalable electronic structure theory: the embedded electron-pair approximation
Manby, F. R.
1/05/13 → 1/05/16
Project: Research
Isoprene oxidation and OH recycling
Shallcross, D. E.
1/10/12 → 1/10/15
Project: Research
Towards treaty verification of all non-CO2 greenhouse gasses - Dr Matthew Rigby
Rigby, M. L.
1/01/12 → 31/12/16
Project: Research
Quantum embedding in condensed-phase reactivity.
Manby, F. R.
1/12/11 → 1/09/12
Project: Research
CCP-BioSim: Biomolecular simulation at the life sciences interface
Mulholland, A. J.
1/10/11 → 1/10/15
Project: Research
Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics
Mulholland, A. J.
5/09/11 → 5/09/13
Project: Research
Laboratory studies of Criegee radical reactions
Shallcross, D. E.
14/03/11 → 14/03/14
Project: Research
Understanding the chemistry of ceramic materials under irradiation
Allan, N. L.
1/10/10 → 1/10/14
Project: Research
Colloids, polymers and temperature
Royall, C. P.
1/04/10 → 1/04/12
Project: Research
The gas phase atmospheric photolysis and reactions of key alkyl nitrates and their role in NOy partitioning.
Shallcross, D. E. & Orr-Ewing, A. J.
1/10/09 → 1/04/13
Project: Research
COMBINED EXPERIMENTAL AND COMPUTATIONAL INVESTIGATIONS OF A NUCLEOPHILLIC DISPLACEMENT REACTION WITH A HYDRIDE LEAVING GROUP
Mulholland, A. J.
1/04/09 → 1/04/12
Project: Research
MULTISCALE ENSEMBLE COMPUTING FOR MODELLING BIOLOGICAL CATALYSTS
Mulholland, A. J.
1/01/09 → 1/01/10
Project: Research
COMPUTATIONAL BIOCHEMISTRY: PREDICTIVE MODELLING FOR BIOLOGY AND MEDICINE
Mulholland, A. J.
1/10/08 → 1/04/14
Project: Research
THE FORMATION AND CHARACTERISATION OF SECONDARY ORGANIC AEROSOL AND ITS CONTRIBUTION TO PM10 CONCENTRATIONS IN THE UK ATMOSPHERE
Shallcross, D. E.
1/07/08 → 1/11/09
Project: Research
DESIRE
Shallcross, D. E.
1/04/08 → 1/04/11
Project: Research
DEVELOPMENT OF A WAVEFUNCTION-BASED ELECTRONIC STRUCTURE METHOD FOR MONTE-CARLO SIMULATION OF FLUIDS
Manby, F. R.
1/01/08 → 1/07/11
Project: Research
DEVELOPMENT OF ORGANOMETALLIC CATALYSTS WITH A KNOWLEDGE-BASED COMPUTATIONAL APPROACH
Fey, N.
1/10/07 → 1/10/12
Project: Research
ACCELERATING RATIONAL DRUG DESIGN WITH MULTI-THREADED ARRAY PROCESSORS
Manby, F. R.
1/07/07 → 1/01/09
Project: Research
RESOLVING THE INCORPORATION OF He IN SILICATE MINERALS
Allan, N. L.
1/06/07 → 1/06/09
Project: Research
COMBINED QUANTUM MECX
Mulholland, A. J.
4/09/06 → 4/06/07
Project: Research
QUEST DEGLACIATION: CLIMATE AND BIOGEOCHEMICAL CYCLES DURING THE LAST DEGLACIATION
Shallcross, D. E.
1/07/06 → 1/07/09
Project: Research
DEVELOPMENT OF ACCURATE QM/MM METHODS FOR BIOMOLECULAR STRUCTURE AND REACTIVITY
Manby, F. R.
11/08/05 → 11/08/09
Project: Research
TOWARDS THE DYNOME: ADDING A 4TH DIMENSION TO THE PROTEIN DATABASE BY TERASCALE SIMULATION
Mulholland, A. J.
18/05/05 → 18/05/06
Project: Research
INTBIOSIM
Mulholland, A. J.
1/10/04 → 1/04/08
Project: Research
ADVANCED RESEARCH FELLOWSHIP: NEW CHALLENGES IN COMPUTATIONAL TRANSITION METAL CHEMISTRY
Harvey, J. N.
1/10/03 → 1/10/08
Project: Research
COMPUTATIONAL STUDIES ON THE CHEMISTRY OF MYOGLOBIN, HAEMOGLOBIN AND OTHER PORPHYRIN DERIVATIVES
Harvey, J. N.
1/10/03 → 1/10/06
Project: Research
S/O MODELLING ENZYME CATALYSIS: MECHANISM AND DYNAMICS
Mulholland, A. J.
1/09/03 → 1/09/05
Project: Research
DISPERSION OF AIR POLLUTION AND PENETRATION INTO THE LOCAL ENVIRONMENT (DAPPLE)
Shallcross, D. E.
1/12/02 → 1/06/05
Project: Research
INSIGHTS INTO ENZYME CATALYSED HYDROGEN TUNNELLING AT THE ATOMIC LEVEL USING COMPUTATIONAL CHEMISTRY
Mulholland, A. J.
1/10/02 → 1/02/06
Project: Research
DENSITY FITTING IN EXPLICITLY CORRELATED ELECTRONIC STRUCTURE THEORY
Manby, F. R.
1/10/02 → 1/10/05
Project: Research
ADVANCED GC-MS TECHNOLOGY FOR OBSERVING OVOCS AND NMHCS IN THE POLLUTED TROPOSPHERE
Shallcross, D. E.
1/10/02 → 1/10/05
Project: Research
ULTRA-THIN FILM FORMATION: NEW THEORETICAL APPROACHES AND APPLICATIONS TO CERAMICS
Allan, N. L.
1/08/02 → 1/03/06
Project: Research