(115c) Making the Most of Molecular Methods

Molecular simulation methods have solidified as a foundational tool in chemical engineering and adjacent areas of science and engineering. However, chemical engineers have also shown, particularly through the fundamental contributions of Sharon Glotzer, that molecular methods generalize and provide equally strong utility for systems in which the "molecules" actually represent nanoparticles or colloids. How far can this program can be taken? And what kinds of insight could molecular methods provide for other, even "less molecular" systems? Here, I will give examples of applications of molecular methods to problems in additive manufacturing and neural network training where the systems in question bear little initial resemblance to molecules. Moreover, I will show that, despite the apparent differences in system construction, molecular methods deliver powerful forms of insight that go beyond conventional approaches.