2020 Virtual AIChE Annual Meeting

Session: Computational solid state pharmaceutics

Chair

Yuriy Abramov, VP of Scientific Affairs, Xtalpi

Co-Chair

Eric Dybeck, Pfizer Inc.

Presentations

08:00 AM

(231a) Disorder and Entropy in Molecular Crystals
Michael Shirts, Eric Dybeck, Nathan Abraham, Marcus Hock

08:15 AM

(231b) A Simple Fix Addresses Severe Density Functional Theory Polymorph Ranking Problems in Pharmaceuticals
Gregory Beran

08:30 AM

(231c) Virtual Coformer Screening by Cloud-Computing Crystal Structure Predictions
Zhuocen Yang, GuangXu Sun, Chao Chang, Baimei Shi, Sizhu Li, Yuriy Abramov, Yingdi Jin

09:00 AM

(231f) Morphology Prediction for Organic Salt Crystals
Yongsheng Zhao, Steven Landis, Michael F. Doherty

09:15 AM

(231g) Mitigating Punch Sticking Propensity of Celecoxib By Cocrystallization – an Integrated Computational and Experimental Approach
Chenguang Wang, Changquan Sun, Shubhajit Paul, David Sun, Sten Nilsson Lill