4 papers
Are neural scaling laws leading quantum chemistry astray?
Siwoo Lee, Adji Bousso Dieng
Neural scaling laws are driving the machine learning community toward training ever-larger foundation models across domains, assuring high accuracy and transferable representations…
Psychometric Evaluation of the Culture around Systemic Change Survey: A tool for Assessing Departmental Culture in Physics
Diana Sachmpazidi, Mike Verostek, Jayna Petrella +3
Physics programs are continually evolving to better support student learning and meet the diverse needs of their populations. Achieving many of these goals requires not only struct…
MuAPBEK: An Improved Analytical Kinetic Energy Density Functional for Quantum Chemistry
Siwoo Lee, Adji Bousso Dieng
Orbital-free density functional theory (OFDFT) offers a true realization of the Hohenberg-Kohn theorems, enabling full quantum-mechanical studies of electronic systems based solely…
High-Tc superconductor candidates proposed by machine learning
Siwoo Lee, Jason Hattrick-Simpers, Young-June Kim +1
We cast the relation between the chemical composition of a solid-state material and its superconducting critical temperature (Tc) as a statistical learning problem with reduced com…