Kavli Affiliate: David T. Limmer | First 5 Authors: Samuel P. Niblett, Mirza Galib, David T. Limmer, , | Summary: By adopting a perspective informed by contemporary liquid state theory, we consider how to train an artificial neural network potential to describe inhomogeneous, disordered systems. We find that neural network potentials based on local representations […]
Kavli Affiliate: Joel E. Moore | First 5 Authors: Vir B. Bulchandani, Manas Kulkarni, Joel E. Moore, Xiangyu Cao, | Summary: We show that the quasiparticle kinetic theory for quantum and classical Calogero models reduces to the free-streaming Boltzmann equation. We reconcile this simple emergent behaviour with the strongly interacting character of the model by […]
Kavli Affiliate: Kristin A. Persson | First 5 Authors: Jimmy-Xuan Shen, Jason M. Munro, Matthew K. Horton, Patrick Huck, Shyam Dwaraknath | Summary: In addition to being the core quantity in density functional theory, the charge density can be used in many tertiary analyses in materials sciences from bonding to assigning charge to specific atoms. […]
Kavli Affiliate: Michael F. Crommie | First 5 Authors: Hongyuan Li, Shaowei Li, Emma C. Regan, Danqing Wang, Wenyu Zhao | Summary: The Wigner crystal state, first predicted by Eugene Wigner in 1934, has fascinated condensed matter physicists for nearly 90 years2-14. Studies of two-dimensional (2D) electron gases first revealed signatures of the Wigner crystal […]
Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Marina R. Filip, Jonah B. Haber, Jeffrey B. Neaton, , | Summary: The ab initio Bethe-Salpeter equation (BSE) approach, an established method for the study of excitons in materials, is typically solved in a limit where only static screening from electrons is captured. Here, we generalize […]
Kavli Affiliate: Xiang Zhang | First 5 Authors: Sungyong Seo, Sercan O. Arik, Jinsung Yoon, Xiang Zhang, Kihyuk Sohn | Summary: We propose a novel training method that integrates rules into deep learning, in a way the strengths of the rules are controllable at inference. Deep Neural Networks with Controllable Rule Representations (DeepCTRL) incorporates a […]
Kavli Affiliate: David T. Limmer | First 5 Authors: Thomas P. Fay, David T. Limmer, , , | Summary: Here we propose a mechanism by which spin polarization can be generated dynamically in chiral molecular systems undergoing photo-induced electron transfer. The proposed mechanism explains how spin polarization emerges in systems where charge transport is dominated […]
Kavli Affiliate: Alex Zettl | First 5 Authors: Wenyu Zhao, Sihan Zhao, Hongyuan Li, Sheng Wang, Shaoxin Wang | Summary: Fizeau demonstrated in 1850 that the speed of light can be modified when it is propagating in moving media. Can we achieve such control of the light speed efficiently with a fast-moving electron media by […]
Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Shan Wu, Zhijun Xu, Shannon C. Haley, Sophie F. Weber, Arany Acharya | Summary: Layered transition metal dichalcogenides (TMDCs) host a plethora of interesting physical phenomena ranging from charge order to superconductivity. By introducing magnetic ions into 2H-NbS$_2$, the material forms a family of magnetic intercalated […]
Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Hongrui Zhang, Yu-Tsun Shao, Rui Chen, Xiang Chen, Sandhya Susarla | Summary: The advent of long-range magnetic order in non-centrosymmetric compounds has stimulated interest in the possibility of exotic spin transport phenomena and topologically protected spin textures for applications in next-generation spintronics. This work reports a […]