Members and alumni of the Van der Ven group meet after presenting and attending talks at the Materials Research Society Fall meeting in Boston, MA. From left to right: Jonathon Bechtel, John C. Thomas, Max Radin, and Elizabeth Decolvenaere.
John Thomas and Jonathon Bechtel develop a quaternion cluster expansion to describe the interactions between molecules in a crystal as a function of their orientational degrees of freedom. This new class of effective Hamiltonians will help describe important properties of hybrid organic-inorganic perovskites.
Congratulations to Anirudh for defending his Ph.D. thesis titled "Towards an understanding of precipitation and solid-state phase transformation in alloys." In his talk, Anirudh discussed his first-principles work on precipitate formation and phase transformations in rare earth Magnesium alloys. More details can be found in his thesis.
Elizabeth Decolvenaere defended her thesis titled "Improving Ab-initio Simulations of Ordering Phenomena in Transition Meral Alloys" on September 14th, 2017. In her talk, she discussed her work on testing predictions from density functional theory at finite temperatures and a cluster expansion approach to magnetic hardening. Details on these and other projects can be found in her thesis.
On August 17th, 2017, Dr.Max Radin (upper left) and Julija Vinckeviciute (lower left) presented a creative poster at the North American Solid State Chemisttry Conference (NASSCC) about their work on battery materials. The poster was a collaboration with Molleigh Preefer (upper right) and Nicole Schauser (lower right) from Prof. Ram Seshadri's group.