2022 Annual Meeting

Session: Computational Solid State Pharmaceutics I

Chair

Abramov, Y., VP of Scientific Affairs, Xtalpi

Co-Chair

Ojo, E., University of Strathclyde

Presentations

08:00 AM

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

08:25 AM

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

08:50 AM

(606c) Rational Reduction of Computationally Predicted Crystal Energy Landscapes Using Molecular Dynamics and Enhanced Sampling Techniques.

09:15 AM

(606e) A Novel Computational Approach to Guide Impurities Rejection By Crystallization

09:40 AM

(606f) Polymorphism in a Lennard-Jones Fluid Nucleating from Its Melt

10:05 AM

(606g) Assessment of Force Fields for Crystal Morphology Prediction