2022 Annual Meeting

Session: Computational Solid State Pharmaceutics I

Chair

Yuriy Abramov, VP of Scientific Affairs, Xtalpi

Co-Chair

Ebenezer Ojo, University of Strathclyde

Presentations

08:00 AM

(606a) The Importance of Solid-State Modeling in Drug Development
Luca Iuzzolino

08:25 AM

(606b) Identifying and Addressing the Weaknesses of Density Functional Theory for Crystal Structure Prediction
Gregory Beran

08:50 AM

(606c) Rational Reduction of Computationally Predicted Crystal Energy Landscapes Using Molecular Dynamics and Enhanced Sampling Techniques.
Matteo Salvalaglio, Sally L. Price, Louise Price, Nicholas F. Francia

09:15 AM

(606e) A Novel Computational Approach to Guide Impurities Rejection By Crystallization
Yuriy Abramov, Amanuel Zelellow, Michal Achmatowicz, Cheng Chen, Jian Wang, Sivakumar Sekharan, Michael A. Bellucci

09:40 AM

(606f) Polymorphism in a Lennard-Jones Fluid Nucleating from Its Melt
Shiyan Wang, Pelin Su Bulutoglu, Nandkishor Nere, Doraiswami Ramkrishna

10:05 AM

(606g) Assessment of Force Fields for Crystal Morphology Prediction
Yongsheng Zhao, Robert Gee, Michael F. Doherty