Friday, May 31, 2024

All sessions will be held in POTOMAC I & II (Ballroom Level)


Welcome and Introductions

1:45 -2:00 pm

2:00 - 2:15 pm

Paschalis Alexandridis and Marina Tsianou

  • Acknowledgements
  • Introductions to the workshop (schedule, deliverables, Code of Conduct)
  • Introductions to the workshop participants

Coffee Break

Formulation Science and Practice

2:15 - 2:30pm

2:30 - 3:30 pm

Coordinator/Discussion Leader: Nick Abbott

  • Keynote: Formulation Science and Practice in Industry: Anat Shiloach (20 min)
  • Keynote: Formulation Science and Practice in Industry: Eric Johnson & Will Shearouse (20 min)
  • DISCUSSION (20 min)

Approaches that May Change Current Practice

3:45 - 5:30 pm

Coordinator/Discussion Leader: Paschalis Alexandridis

  • Tutorial on Molecular Modeling: Dmitry Bedrov and Alberto Striolo (30 min + 5 min Q&A)
  • Tutorial on ML/AI: Peter Frazier and Johannes Hachmann (30 min + 5 min Q&A)
  • Tutorial on Life Cycle Assessment (LCA): Aurora Munguia-Lopez (30 min + 5 min Q&A)

Dinner in POTOMAC III & IV (Ballroom level)

Biobased Ingredients and Sustainability

5:30 - 7:00 pm

7:00 - 9:00 pm

Coordinator/Discussion Leader: Marina Tsianou              Scribe: Dan Miller

  • Short Tutorial on Biosurfactants: Dan Miller (20 min)
  • Short Tutorial on PFAS: Paschalis Alexandridis (10 min)
  • Case studies by industry participants (10 min each)
    • Bio-based, Biodegradable Ingredients: Aslin Izmitli
    • Lower Carbon Footprint Ingredients: Aslin Izmitli
    • Surfactant Developments in Laundry Detergents: Will Shearouse
    • Developing Materials and Models for Sustainable Cleansing Products: Eric Johnson
    • Formulation Challenges with Sustainable Surfactants for Personal Cleansing Products: Hongwei Shen
    • APG in Agro Applications: Amir Ghayour
    • Challenges of Formulating Sustainable Oil Dispersion Product of Pesticides: Wanglin Yu
  • DISCUSSION (20 min)

Saturday, June 1, 2024

Breakfast in CHESAPEAKE VIEW (Rooftop level)

Modeling (HLD, molecular simulations, AI)

7:00 - 7:45 am

8:00 - 9:45 am

Coordinator/Discussion Leader: Dan Miller                 Scribe: Stephanie Lam

  • Tutorial on Hydrophilic-Lipophilic Deviation (HLD) method: Edgar Acosta (20 min+ 5 min Q&A)
  • Case studies by academic participants on the use of molecular simulations or ML/AI modeling in property prediction and understanding surfactant systems (10 min each)
    • Dmitry Bedrov
    • Alberto Striolo
  • Case studies by industry participants on the use of modeling in formulations (10 min each)
    • Application of HLD Framework to Mapping Surfactant-Oil-Water Emulsion Stability: Greg Dado
    • Leveraging AI for Sustainable Design of Skin Care Products: Tea Moaddel
  • DISCUSSION (25 min)

Coffee Break

Lab Automation & Data Analytics

9:45 - 10:15 am

10:15 - 11:30 am

Coordinator/Discussion Leader: Stephanie Lam              Scribe: Claribel Acevedo-Vélez

  • Lab Automation& Data Analytics (NIST AFL and commercially available): Tyler Martin, Peter Beaucage, Jon Seppala (30 min+ 5 min Q&A)
  • Case studies on applications of lab-automation in surfactant or colloidal systems (25 min total)
    • Applications of Microfluidics: Alexandra Bayles
    • Applications of Microfluidics: Sangwoo Shin
    • High Throughput Formulation Capabilities at Dow and Applications in Formulation: Aslin Izmitli
  • DISCUSSION (15 min)

Research Funding

11:30 am - 12:00 pm

Coordinator/Discussion Leader: Nick Abbott         Scribe: Paschalis Alexandridis

  • Funding from Federal sources (NIST, NSF, DOE)

Lunch in CHESAPEAKE VIEW (Rooftop level)

Education and Workforce Development

12:00 - 1:00 pm

1:00 - 2:45 pm

Coordinator/Discussion Leader: Claribel Acevedo-Vélez          Scribe: Marina Tsianou

  • Courses related to formulations
    • Formulation Engineering course at CMU: Bob Tilton (10 min)
    • Formulation Courses at UCSB: Todd Squires (10 min)
    • Formulation in a Course on Product Design: Paschalis Alexandridis (5 min)
    • Molecular Modeling Course Content to Support Formulations: Dmitry Bedrov (5 min)
    • ML/AI Course Content to Support Formulations: Johannes Hachmann (5 min)
  • Input from industry practitioners (15 min)
  • Research in universities in collaboration and/or with financial support by industry (15 min)
  • Role of professional societies (15 min)
    • AOCS (Surfactants and Detergents Division): Brian Grady
    • ACS (COLL division): Dan Miller
    • AIChE (Area 1C: Interfacial Phenomena): Marina Tsianou
    • Society of Cosmetic Chemists: Todd Squires
    • Royal Society of Chemistry RSC (Interest groups: Colloid & Interface Science Group, Particle Characterisation Group, Polymer Physics Group, Formulation Science & Technology Group): Paschalis Alexandridis
  • DISCUSSION (25 min)

Closing Remarks and Action Items

2:45 - 3:00 pm

Paschalis Alexandridis and Marina Tsianou

  • Workshop report
  • Reimbursement of travel expenses