Andrew Schultz

Andrew Schultz is an Associate Professor of Research in the Department of Chemical and Biological Engineering at the University at Buffalo, affiliated with the School of Engineering and Applied Sciences. His research focuses on molecular simulation, software engineering, and cluster methods in statistical mechanics. He holds a PhD in Chemical Engineering from North Carolina State University (2004), an MS from the same institution (2000), and a BS from the University of Tulsa (1998).

• PhD: Chemical Engineering, North Carolina State University, 2004
• MS: Chemical Engineering, North Carolina State University, 2000
• BS: Chemical Engineering, University of Tulsa, 1998

His research interests emphasize computational methods for thermodynamic property prediction, including virial coefficient analysis, path integral simulations for quantum systems, and molecular-based equation of state development. He has pioneered software tools like pyHMA and contributed to the Etomica simulation framework. Schultz’s work spans applications in energy materials, environmental engineering, and nanotechnology, with a focus on bridging molecular-scale models to macroscopic phenomena.

His recent publications (2021–2024) explore quantum oscillator simulations, interfacial properties of polymer membranes, and virial coefficient validation for complex fluids. Key themes include computational efficiency, thermodynamic consistency, and validation of intermolecular potentials. He has developed methods to quantify uncertainties in molecular simulations and improve predictive accuracy for industrial and environmental systems.

Though no formal awards are listed, his extensive publication record and software contributions reflect sustained academic leadership. He leads research on crystalline defects, supercritical fluid mixtures, and antifouling materials, often collaborating across disciplines to address grand challenges in energy and sustainability.