Gregory Chass

Associate professor

phone: +852 95372599
building: Hoi Oi Chow
room: HOC.101

Scientific Career
2017-: Associate Professor, Physical Chemistry, the University of Hong Kong, Hong Kong
2011-: Reader (Prof. Ordinario), Physical Chemistry, Queen Mary University of London, London, UK
2017-2019: Visiting Professorships @ Hong Kong U. (CN), McMaster U. (CA), Sapienza U. (IT)
2006-2011: Lecturer, Physical Chemistry, University of Wales, Bangor, UK
2005-2006: Visiting Professor, Theoretical Chemistry, Beijing Normal University, Beijing, China
2002-2005: Post-doctoral fellowships (Canada, USA, France, Spain)
1999-2002: PhD Medicinal Chemistry, University of Szeged, Szeged, Hungary
1994-1999: B.Sc. Chemistry, University of Toronto, Toronto, Canada

Funding 2010-present
• 2010-2018 – STFC (UK), CRG (IT), PSI (CH), BNC (HU) experimental support [~£1.5 M]
• 2012-2014 – Royal Society (UK), Joint Project, with Beijing Normal University, CN [£12 k]
• 2010-2012 - EPSRC (UK), 1st grant, Homogeneous Catalysis [£125 k]

Research Summary & Focus
Focus & expertise lies in the computational design of experimental (neutron scattering, muon-spin resonance) characterization and optimisation of novel homogeneous catalysts, and bioactive cements for use as bone/tooth replacements. Additional focus involves tracking of radical-scavenging proficiency in natural anti-oxidants. Fundamental methodology development involves entropy partitioning to accurately quantify free-energy of solvation and translational entropy in the condensed phase, in addition to evolving molecular-cluster approaches to computing amorphous materials and chemical transformations in solution.
Content and impact of major scholarly contributions
Across numerous collaborations at the national and international levels GC has employed computation and neutrons to help solve problems and action progresses in the following areas:
• Mechanical properties of (bio)materials [Nature Communications 2015, cited 11 times; Intermetallics 2010, cited 8 times; JMS-MM 2012, cited 6 times; PCCP 2016, cited 2 times]
• Catalytic proficiencies [Angew. Chemie. Int. Ed. 2009, cited 144 times; Synthesis Stuttgart, cited 116 times; Tetrahedron 2005, cited 98 times; CEJ 2009, cited 58 times; Chem. Commun. 2010, cited 10 times; JOC 2013, cited 28 times; JPCA, cited 13 times; PCCP 2014, cited 10 times; PCCP 2012, cited 6 times; PCCP 2013, cited 5 times]
• Novel methods for efficient ab initio computation of peptides [JACS 2010, cited 72 times; JPCA 2005, cited 52 times; IJQC 2002 cited 47 times; J. Mol. Struct THEOCHEM 2001, cited 38 times; JPCA 2005, cited 30 times; Eur. Phys. J. D, 2002, cited 20 times]
• System Chemistry: [JPCA 2007, cited 34 times; JPCB 2008, cited 30 times; JPCB 2009, cited 12 times; JPCA 2008, cited 15 times; JPCA 2009, cited 7 times;]
• Evolving solvent models [IJQC 2013, cited 29 times; IJQC 2008, cited 15 times]

Teaching & Administration
GC is an honorary Associate Professor @ HKU, responsible for leading on forming international, multi-disciplinary projects with institutions in Europe and Canada; a lead on the tri-partite PhD programme in medicinal chemistry between Sapienza, McMaster U. and HKU.
GC is a senior academic in physical chemistry at QMUL. GC is the director of graduate studies for the departments of Chemistry, Biochemistry, Molecular Biology (2018-), was director of the MSc Chemistry programme (2012-2018), and undergrad exam-board director at U. Wales (2008-2011).
GC has actioned innovative methods and style in teaching with great success; evidenced by recent University-wide award. Teaching Award for Innovation (2017); earlier awards (U. Toronto 2004)
GC has instructed a full course load (140-200 hours/year) in physical chemistry since starting as a lecturer in 2006, in the following areas: Thermodynamics (Intro), Materials Science (Intro), Quantum Mechanics/Chemistry (Intro/Intermed), Spectroscopy (Intro/Intermed), Symmetry/Group-Theory (Intermed), Computational Chem. (Intro/Intermed/Adv), Colloids (Adv).

Recent International Invited Talks
1. Bristol U. Seminar, Bristol, UK, 2019-Jan
2. Neutrons Matter-VII, Rome, Italy, 2017-Nov
3. Public Lecture Series, HKU, Hong Kong, China, 2017-Apr
4. QSCP-XXI, Vancouver, BC, Canada, 2016-Jul
5. GOMD-2016, Madison, WI, USA, 2016-May
6. Stanford U.Seminar, Chemistry, Stanford, USA, 2015-Feb
7. International Glass Summit-2: Wuhan, China, 2014-Aug
8. LPBMS-1: Tsukuba, Japan, 2013-Aug
Relevant International Workshops
9. Terahertz Phenomena in Materials: Chester, United Kingdom, 2017-Apr
10. Computational Molecular Sciences: Szeged, Hungary 2014-Jun
11. International PhD School: Rome, Italy 2013-Dec
12. Materials for Tomorrow: Singapore, Singapore 2012-Dec
13. Order and Disorder in Modern Materials: Shanghai, China 2012-Sep

Organisation of international conferences
• ICMAT-2011 – Symposium LL, Young Scientists Workshop, Singapore 2011-Jun (Organiser)
• INYS-2010 – International Network of Young Scientists, Wales, UK, 2010-Jul (Organiser)
• INYS-2009 – International Network of Young Scientists, Singapore, 2009-Jun (Organiser)

Publications in the last 5 years
1. Mu WH, Cheng RJ, Fang DC, Chass GA, The pivotal role of electronics in preferred alkene over alkyne Ni-carboryne insertions and absolute regioselectivities, Dalton Transactions, (2018) DOI: 10.1039/c8dt01154k
2. Tian KV, Mahmoud MZ, Cozza P, Licoccia S, Fang D, Di Tommaso D, Chass GA, Greaves GN, Periodic vs. molecular cluster approaches to resolving glass structure and properties: Anorthite a case study. Journal of Non-Crystalline Solids, (2016) DOI: 10.1016/j.jnoncrysol.2016.06.027
3. Mu WH, Fang DC, Xia SY, Cheng RJ, Chass GA, Multi-Pathway Consequent Chemoselectivities of CpRuCI(PPH3)/MeI Catalysed Norbornadiene Alkyne Cycloadditions, Chemistry A European Journal, (2016) DOI: 10.1002/chem.201603173
4. Zhu X, Chass GA, Kwek LC, Rogach AL, Su H, Excitonic Character in Optical Properties of Tetrahedral CdX (X = S, Se, Te) Clusters, J. Phys. Chem. C, (2015) DOI: 10.1021/acs.jpcc.5b09751
5. Tian KV, Chass GA, DiTommaso D, Simulations reveal the role of composition into the atomic-level flexibility of bioactive glass cements, Phys. Chem. Chem. Phys., (2016) DOI: 10.1039/c5cp05650k
5. Tian KV, Yang B, Yue, YY, Bowron DT, Mayers, J, Donnan RS, Dobo-Nagy C, Nicholson JW, Fang DC, Greer AL, Chass GA, Greaves GN, Atomistic and vibrational origins of mechanical toughness in biocements during setting, Nature Comm., (2015) DOI: 10.1038/ncomms9631
6. Mu WH, Xia SY, Li JX, Fang DC, Wei G, Chass GA, Competing Mechanisms, Substituent Effects and Regioselectivities of Nickel-Catalyzed [2+2+2] Cycloaddition between Carboryne and Alkynes : A DFT Study, J. Org. Chem., (2015) DOI: 10.1021/acs.joc.5b01464
7. Pedersen MT, Tian KV, Dobó-Nagy C, Chass GA, Neville Greaves G, Yue Y, Phase separation in an ionomer glass: Insight from calorimetry and phase transitions
J. Non-Cryst. S., (2015) DOI: 10.1016/j.jnoncrysol.2015.02.012
8. Bennett E, Wilson T, Murphy PJ, Refson K, Hannon AC, Imberti S, Callear SK, Chass GA, Parker SF, How the surface structure determines the properties of CuH.
Inorg. Chem., (2015) DOI: 10.1021/ic5027009
9. Jenkins S, Xiao CX, Xu T, Yin D, Kirk SR, Chass GA, Quantum topological resolution of catalyst proficiency, Inter. J. Quant. Chem., (2015) DOI: 0.1002/qua.24922
10. Bennett EL, Wilson T, Murphy PJ, Refson K, Hannon AC, Imberti S, Callear SK, Chass GA, Parker SF, Structure and spectroscopy of CuH prepared via borohydride reduction, Acta Crystallographica Section B: Structural Science. (2015) DOI: 10.1107/S2052520615015176

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