Eric Joseph Chan Ph. D. (Chem)
For details of previous employment and referrals please do not hesitate to contact me
EDUCATION/QUALIFICATIONS
Graduate of Data Science and AI (Professional Certification), Institute of Data, UTS, RMIT, 2023
Doctor of Philosophy (Chemistry, Crystallography), University of Western Australia, 2006
Bachelor of Science (Chemistry, Biochemistry), University of Western Australia, 1998
Foundational Data Science and AI Skills:
Python, Pandas, Numpy, Data Visualization, Data Cleansing, Data Manipulation, SQL, Tableau. | Core Machine Learning Skills: Scikit learn, Keras, Tensorflow. | Data Science Soft Skills: Problem Solving, Collaboration, Leadership, Emotional Intelligence.
PROFESSIONAL TECHNICAL SKILLS:
● Computational workflows, scripting, frameworks, APIs .
● Understanding algorithms and benchmarking modifications.
● Scientific computing and programming experience: Linux, Python, Fortran, Matlab, Perl, Bash, C/C++
● Exploratory Data Analysis, Data fitting, Parameter optimization, Enhanced sampling algorithms.
● Analytical instrument usage, maintenance and calibration.
● Strong written work (including scientific publications) and efficient report writing skills.
OTHER SKILLS/EXPERIENCE:
Monte Carlo methods | Molecular dynamics simulation | Molecular crystallography | X-ray diffraction | Crystal growth and polymorphism | Molecular Visualization GUIs | Force Field Development | Quantum Chemical and Density Functional Theory calculation | QMMM | Mathematics (Calculus, Linear Algebra, Probability and Statistics) | High Performance Computing (PBS, Slurm) | Relational database (MySQL, SQLite3) | NoSQL (MongoDB, Neo4J) | Audio and video manipulation | Sound design, audio synthesis, mixing, mastering | Computer graphics manipulation and image processing techniques | Operating systems: MacOS, Linux, Dos/Windows | Various other skills related to my background in chemistry and pharmaceuticals (Lab skills, synthesis, analytical instruments, experimental data collection, synchrotrons).
Publications List:
E.J. Chan, M. E. Tuckerman “Polymorph Sampling With Coupling to Extended Variables. Enhanced Sampling of Polymorph Energy Landscapes with Estimates of Free Energy Differences as Extended Variable Fluctuation Properties. in prep.
E.J. Chan, A. G. Shtukenberg, M. E. Tuckerman and B. Kahr “Crystal Structure Prediction as a Tool for Identifying Components of Disordered Structures from Powder Diffraction: A Case study of Benzamide II.”. Crystal Growth and design. (2021), 21(10), 5544-5557.
E.J. Chan, “On the Use of Molecular Simulation for Calculating Thermal Diffuse Scattering in Molecular Crystals”, J. Appl. Cryst., (2015), 48, 1420-1428.
E.J. Chan and D. J. Goossens “A method to perform modulated structure studies using the program ZMC, J. Appl. Cryst., (2017), 50, 1834-1843.
E.J. Chan and M. A. Neumann “An Evaluation of General and Tailor Made Force Fields via X-ray Thermal Diffuse Scattering Using Molecular Dynamics and Monte Carlo Simulations of Crystalline Aspirin., JCTC (2017), accepted.
E.J. Chan, et. al., “On the application of GCMC simulation to predict the absorption properties of multiple disordered solvents binding in API crystal lattices A Case Study.”, Mol. Pharm., (2016), under revision.
E. J. Chan, L. Derdour and R. Tejwani, "Calculating a Characteristic Growth Effect Curvature from molecular simulations that can be used to Correlate Factors Influencing Crystalline growth and properties." (2015) CG&D, 15(12), 5754-5766.
E. J. Chan, Q. Gao and M. Dabros, "Understanding the structure details when drying hydrate crystals of pharmaceuticals – Interpretations from diffuse scattering and inter-modulation satellites of a partially dehydrated crystal." Acta. Cryst., B70 (2014) 555-567.
E. J. Chan and D. J. Goossens and A. P. Heerdegen, " Study of the single crystal X-ray diffuse scattering in paracetamol polymorphs." Acta Cryst., B68 (2012) 80-88.
E. J. Chan, T. R. Welberry, D. J. Goossens and A. P. Heerdegen, "A diffuse scattering study of Aspirin forms I and II." Acta Cryst., B66 (2010) 696-707.
E. J. Chan, T. R. Welberry, "Precursor effects of the orthorhombic to monoclinic phase transition in benzocaine form (II) revealed by X-ray diffuse scattering." Acta. Cryst. B66, (2009) 260-270.
E. J. Chan, T. R. Welberry, D. J. Goossens and A. P. Heerdegen, " A refinement strategy for Monte Carlo modeling of diffuse scattering from molecular crystal systems.” j. Appl. Cryst., (2010) 913-915.
E. J. Chan, T. R. Welberry, A. P. Heerdegen, D. J. Goossens, A. P. Beasley and P. J. Chupas, "Single-crystal diffuse scattering studies on polymorphs of molecular crystals. I. The room-temperature polymorphs of the drug benzocaine" Acta Cryst., B65 (2009) 382-392.
E. J. Chan, A. D. Rae, T. R. Welberry, "On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)" Acta Cryst., B65 (2009) 509-515.
D.J. Goossens and E. J. Chan, "Synchrotron X-ray Diffuse Scattering from a stable polymorphic material" Acta. Cryst., B (2016) accepted.
T. R. Welberry, E. J. Chan, D. J. Goossens and A. P. Heerdegen, 'Use of Monte-Carlo simulation for the interpretation and analysis of diffuse scattering', Phase Transitions, 1029-0338 (2010) 80-98.
T. R. Welberry, D. J. Goossens, E. J. Chan and A. P. Heerdegen, ‘Diffuse scattering as an aid to the understanding of polymorphism in pharmaceuticals’, Metallurgical and Materials transactions A, 43A(2012) 1434-1444.
D. J. Goossens, A. P. Heerdegen, E. J. Chan and T. R. Welberry, “Monte Carlo Modelling of Diffuse Scattering from Single Crystals: The Program ZMC”, Metallurgical and Materials Transactions A, (2010), 1073-5623 (Print) 1543-1940 (Online).
E. J. Chan, B. G. Cox, J. M. Harrowfield, M. I. Ogden, B. W. Skelton and A. H. White, “Cation solvation in the solid state - temperature-dependant crystal structures in some metal perchlorates solvated by dimethylsulfoxide”, Inorg. Chim. Acta 357 (2004) 2365.
E. J. Chan, J. S. Edmonds, K. Kazawa, B. W. Skelton and A. H. White, “The Crystal Structure of Methylphenylarsinic Acid, a Contaminant of Rice Plants and Groundwater”, Chem. Lett. 36 (2007) 160-161.
E. J. Chan, A. H. White, B. W. Skelton “Structural Characterization of Some Coinage Metal(I) Thiosulfate Complexes”, Z. Anorg. Allg. Chem., 634 (2008) 2825-2844.
E. J. Chan, J. M. Harrowfield, B. W. Skelton, A. H. White, “Alcohol Solvates of Lanthanoid(III) Trifluoromethanesulfonates”, Z. Anorg. Allg. Chem., 635 (2009) 456-461.
E. J. Chan, “Tris(ethanol-O)tris(picrato-O,O')lanthanum(III) tri-2-pyridylamine solvate”, Acta Cryst., E64 (2008) m984-m985.
E.J. Chan, et. al. “Disorder in the 1,11-undecanedioic acid Urea Inclusion Compound - A Case Study Using Single Crystal X-ray Diffuse Scattering Analysis”, Acta Cryst., (2017), under-revision.
E.J. Chan and A. Abraham, “Understanding Phases and Phase separation in Liquid Crystal Drug Delivery Systems Using Deuterium Solid-state NMR.” (2017), molecular pharmaceutics submitted.
F. Marchetti, C. Pettinari, R. Pettinari, A. Cerquetella, A. Cingolani, E. J. Chan, K. Kozawa, B. W. Skelton, A. H. White, R. Wanke, M. L. Kuznetsov, L. Martins and A. Pombeiro, "Areneruthenium(II) 4-Acyl-5-pyrazolonate Derivatives; Coordination Chemistry, Redox Properties, and Reactivity", Inorg. Chem., 46 (2007) 8245-8257.
S. Mutrofin, E. J. Chan, P. C. Healy, A. Marinelli, J. Ngoune, C. Pettinari, R. Pettinari, N. Somers, B. W. Skelton and A. H. White, "Structural forms in complexes of 2,9-dimethyl-1,10-phenanthroline with simple salts of copper(I) and other univalent 'closed shell' species", Inorg. Chim. Acta, 361(2008) 2365-2374.
Pettinari, R., Pettinari, C., Marchetti, F., Gobetto, R., Nervi, C., Chierotti, M. R., Chan, E. J., Skelton, B. W. & White, A. H., “Solid-State 15N CPMAS NMR and Computational Analysis of Ligand Hapticity in Rhodium Poly(pyrazolyl)borate Complexes” Inorganic Chemistry, 49(2010) 11205-11215.
P. J. Larkin, M. Dabros, B. Sarsfield, E. Chan, J. T. Carriere and B. C. Smith, " Polymorph Characterization of Active Pharmaceutical Ingredients (APIs) using Low Frequency Raman Spectroscopy." Applied Spectroscopy, 68:7(2014), 758-776.
E. J. Chan, S. Grabowsky, J. M. Harrowfield, M. W. Shi, B. W. Skelton, A. N. Sobolev and A. H. White, " Hirshfeld surface analysis of crystal packing in aza-aromatic picrate salts" Cryst. Eng. Comm., 16(2014), 4508-4538 DOI: 10.1039/c4ce00095a, http://xlink.rsc.org/?doi=C4CE00095A
L. Derdour and E. J. Chan, “A semi-theoretical model for supersaturation and aspect ratio for size-dependent crystal growth” (2014) AIChE Journal, accepted.