Modeling, ML & AI in Surfactants

Chair(s)

• 

  Jeffrey Sanders, PhD

  CPG Product Manager
  Materials Science
  Schrodinger
  New York, New York, United States
• 

  Dan Miller (he/him/his)

  Senior Research Scientist
  Core R&D
  Dow
  Collegeville, Pennsylvania, United States
• AS

  Alberto Striolo

Presentations:

• 10:35 AM – 10:55 AM PST

  Understand the mechanism of fabric cleaning by molecular modeling the complex interactions at water-fabric interface
  

  Presenting Author: Haidong Liu, PhD – Schrodinger

  Co-Author: Jeffrey Sanders, PhD – Schrodinger

  Co-Author: Eli Sedghamiz – Schrodinger

  Co-Author: Andrea Browning (she/her/hers) – Schrodinger

  Co-Author: David J. Giesen – Schrodinger

  Co-Author: shadi fuladi – Schrodinger

  Co-Author: Mat D. Halls – Schrodinger
• 10:55 AM – 11:15 AM PST

  A lab-on-a-bench setup equipped with machine learning for high-throughput formulation development
  

  Presenting Author: Qianrong Liu, MEng MSc (she/her/hers) – University of Birmingham

  Co-Author: Chao Jiang – University of Birmingham

  Co-Author: Tugce Caykara – University of Birmingham

  Co-Author: Miqing Li – University of Birmingham

  Co-Author: Zhenyu Jason Zhang, PhD – University of Birmingham
• 11:15 AM – 11:35 AM PST

  Predicting Structure-Property Relationships for Non-Ionic Surfactants using AI and Molecular Modeling Techniques
  

  Presenting Author: Sarvesh Agrawal, PhD – ExxonMobil Technology and Engineering Company

  Presenting Author: Brian Willett – NobleAI

  Co-Author: Francois Simal – ExxonMobil

  Co-Author: Arben Jusufi – ExxonMobil Technology and Engineering Company

  Co-Author: Chunzhao Li – ExxonMobil

  Co-Author: Austin Dulaney – NobleAI

  Co-Author: Kevin Shen – Noble AI Inc

  Co-Author: Alicja Gos – NobleAI

  Co-Author: Kyle Fujdala, PhD (he/him/his) – NobleAI
• 11:35 AM – 11:55 AM PST

  The use of simulation tools and physicochemical properties to guide the selection of additives
  

  Presenting Author: Michael Praw, MBA CD – Indorama Ventures

  Co-Author: Bruno Dario – Indorama Ventures

  Co-Author: Alann Bragatto – Indorama Ventures

  Co-Author: Suzy Alves – Indorama Ventures