Fiona Case

Fiona Case

Fiona's technical expertise is soft matter (or soft nanotechnology): in industrial polymer and surfactant science, and the industrial application of computational chemistry, molecular modeling and property prediction. She works as a lecturer and consultant for the Nano Science and Technology Institute, and is also a feature writer for Chemistry World.

Her introduction to industrial polymer science was in the late 80’s at Courtaulds Research in the UK where she worked as part of the team developing Tencel - a new environmentally friendly solvent spun cellulose fiber. She also investigated the effects of polyacrylonitrile microstructure on carbon fiber performance using computer modeling techniques. Courtaulds' involvement as a founder member of the Biosym/Molecular Simulations Inc. (MSI) Polymer Consortium, one of the earliest materials modeling efforts, meant frequent trips to sunny San Diego, CA. In 1991 she moved to California to join Biosym.

Fiona spent nine years at Biosym/MSI (now Accelrys ). She carried out contract research for some of the top US and European materials science companies to demonstrate the value of molecular modeling for their specific applications. As manager of the MSI materials modeling training group she prepared and presented workshops worldwide on molecular modeling of materials and polymers. She also worked in marketing and technical sales support.

In 1999 she was hired into a central research group at Colgate Palmolive. This presented challenges  including materials structure and property prediction for toothpaste, detergent, hard surface care and personal care products, and packaging and fragrance technology. While at Colgate she organized a symposium on Mesoscale Phenomena in Fluid Systems on behalf of the American Chemical Society, Division of Physical Chemistry, which was held during the ACS National Meeting in Boston, 2002. She is the coeditor of a book based on this symposium (ACS Symposium Series #861).

In 2003 Fiona left Colgate Palmolive to move to beautiful Vermont with her husband, Martin Case. She founded Case Scientific and provided consultancy and contract research in computational chemistry, mesoscale modeling, polymer and surfactant science for several organizations before the birth of her son  Benjamin. She also embarked on a "second career" in scientific journalism and is a regular feature writer for both Chemistry World and Inform Magazine.

She is a consultant and member of the organizing committee for the annual Nano Science and Technology Institutes (NSTI) Nanotech conferences. She is an instructor for the NSTI Nanotechnology Course Series

In 2009 she joined that faculty at the University of Vermont as a part-time lecturer teaching Chem23/25: General Chemistry

Fiona is a Chartered Chemist and a member of the Royal Society of Chemistry , the American Chemical Society and the American Oil Chemists Society. She is Chair and Webmaster for the ACS Green Mountain Section. The is a member of the National Association of Science Writers.

Technical (peer reviewed) Publications & Presentations

Fiona Case, John Brennan, Anne Chaka, Kerwin D. Dobbs, Daniel G. Friend, David Frurip, Peter A. Gordon, Jonathan Moore, Raymond D. Mountain, James Olson, Richard B. Ross, Martin Schiller, Vincent K. Shen. "The Third Industrial Fluid Properties Simulation Challenge" Submitted to Fluid Phase Equilibria, 2007

Fiona Case, "Predicting Dynamic Mesoscale Structure of Commercially Relevant Surfactant Solutions" Chapter in "Multiscale Simulation Methods for Nanomaterials", edited by Richard Ross and Sanat Mohanty, John Wiley & Sons, Inc, 2007

Fiona Case, Anne Chaka, Daniel G. Friend, David Frurip, Joseph Golab, Peter Gordon, Russell Johnson, Petr Kolar, Jonathan Moore, Raymond D. Mountain , James Olson, Rick Ross, Martin Schiller. " The Second Industrial Fluid Properties Simulation Challenge" Fluid Phase Equilibria, 236, 1–14, (2005)

Case F. H. "Mesoscale simulation of colloids and surfactants in consumer products", presentation at the 79th ACS Colloid and Surface Science Symposium, Clarkson University, June 12-15, 2005

Kyrylyuk A.V., Case F.H., Fraaije J.G.E.M., "Property prediction and hybrid modeling for combinatorial materials", QSAR & Combinatorial Science 24 (1), 131-137, 2005

Case, F. H. "Applications of mesoscale modeling – towards computer simulation of cleaning", presentation at the 95th AOCS Annual Meeting & Expo,  May 9-12, 2004, Cincinnati, Ohio, USA

Case, F. H., Chaka, A., Friend, D., Frurip, D., Golab, J., Johnson, R., Moore, J., Mountain, R. D., Olson, J.,  Storer,J., Schiller, M., "The First Industrial Fluid Properties Simulation Challenge", Fluid Phase Equilibria, 217( 1), 1-10 (2004)

Ray Mountain, Fiona Case, Anne Chaka, Daniel Friend, Dave Frurip, Russell Johnson, Joseph Golab,
Petr Kolar, Jonathan Moore, James Olson, Rick Ross, Martin Schiller, Joey Storer, "The Industrial Fluids Simulation Challenge: Highlights of the First Event and a Preview of the Second" Presentation at FOMMS 2003.

Connors, T. F., Berta, J., Nascimbeni, B., Case, F. H., D'Ambrogio, R., and Crudden, J. J., "Novel light duty liquid (LDL) cleaning compositions using lauroyl ethylenediaminetriacetate (LED3A) chelating surfactant", Invited Presentation, ACS National Meeting, New York NY, September 2003

Broze, G. and Case, F. H. "Impact of Mesoscale Structure and Phase Behavior on Rheology and Performance in Superwetting Cleaners" Chapter 24 in "Mesoscale Phenomena in Fluid Systems" edited by Case, F. H. and Alexandridis, P., ACS Books & Oxford University Press, (2003)

Case, F. H. "Simulation of Emulsion Systems using Dissipative Particle Dynamics" Invited Presentation, ACS National Meeting, New Orleans, March 2003

Case, F. H. "Molecular Modeling of Personal Care Products", presentation for the ACS Princeton Local Section, December 2002.

Broze, G. and Case, F. H. "Impact of Micelle Structure and Phase Behavior on Rheology and Performance", Invited Presentation, ACS National Meeting, Boston MA,; August 2002

Case, F. H. "Commercial Application of Mesoscale Modeling: The Challenge of Parameterization", invited lecture and co-organisor, 2nd Annual MultiScale Modeling Conference - Bridging the Gap Between Atomistic and Meso Scales , August 13 - 14, 2001, Boston, MA

Case, F. H. "Industrial Application of Atomistic Simulations", invited lecture and co-organizor,  Workshop on Predicting the Thermophysical Properties of Fluids by Molecular Simulation , June 18-19, 2001, N.I.S.T. Gaithersburg, MD

Case, F. H. "Studying the Distribution of Actives in PEO-PPO-PEO Block Copolymer Gel", invited presentation, ACS National Meeting, Washington DC,  August 20th-24th 2000

Case, F. H. "Predicting Polymer Miscibility", SPE ANTEC Technical Papers, 38, 1598 (1999)

Case, F. H. “Applications of Modeling in Polymer Property Prediction”, Journal of Computer-Aided Materials Design, 3, 369-378 (1996)

Case, F. H. and Honeycutt, J. D. “Will my Polymers Mix? - Applications of Modeling to Study Miscibility, Compatibility and Formulation” . Trends in Polymer Science, 2, 256 (1994)

Mumby, S. J., Sher, P. B., Case, F. H., and Eichinger, B. E., “Computer Simulation of Phase Diagrams of Binary and Quasi-Binary Polymer Solutions and Blends”, SPE ANTEC Technical Papers, 38, 1598 (1992)

Case, F. H., Winter, J. and Bott, D., “Molecular Modeling for Designer Polymers” Chem. Ind. 3, 784 (1990)

Scientific Journalism clips can be found Here

Case Scientific
e-mail: or