Experiment, theory, and simulation show basic chemical properties are imprinted in atomic force microscope images and may help ID unknown molecules.
The UC Santa Cruz professor uses computing resources at Brookhaven Lab’s Center for Functional Nanomaterials to run calculations for quantum information science, spintronics, and energy research.
Berkeley Lab’s Kristin Persson shares her thoughts on what inspired her to launch the Materials Project online database, the future of materials research and machine learning, and how she found her own way into a STEM career.
Nearly all computer models of molecules and materials are based on density functional theory (DFT) approximations. Several methods exist for correcting self-interaction error in DFT approximations that work well for some chemical arrangements but not others. A new method removes self-interaction errors without hurting accuracy.