Probing phase transitions in organic crystals using atomistic md simulations

L Schmidt, D Van der Spoel… - ACS Physical Chemistry Au, 2022 - ACS Publications
A profound understanding of the physicochemical properties of organic crystals is crucial for
topics from material science to drug discovery. Using molecular dynamics (MD) simulations …

Probing Phase Transitions in Organic Crystals Using Atomistic MD Simulations

L Schmidt, D Van der Spoel, MM Walz - … PHYSICAL CHEMISTRY AU, 2023 - diva-portal.org
A profound understanding of the physicochemical properties of organic crystals is crucial for
topics from material science to drug discovery. Using molecular dynamics (MD) simulations …