Kavli Affiliate: Scott Small | Authors: Clara T Rehmann, Scott T Small, Peter L Ralph and Andrew D. Kern | Summary: As organisms adapt to environmental changes, natural selection modifies the frequency of non-neutral alleles. For beneficial mutations, the outcome of this process may be a selective sweep, in which an allele rapidly increases in […]
Kavli Affiliate: Li Xin Li| First 5 Authors: [#item_custom_name[1, [#item_custom_name[2, [#item_custom_name[3, [#item_custom_name[4, [#item_custom_name[5| Summary:Josephson diode (JD) effect found in Josephson tunnel junctions (JTJs) has attracted a great deal of attention due to its importance for developing superconducting circuitry based quantum technologies. So far, the highly desirable electrical control of the JD effect has not been […]
Kavli Affiliate: Gerbrand Ceder| Summary:Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Guided Generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes a fraction of atomic positions within a predefined and symmetrized host […]
Kavli Affiliate: Kristin A. Persson | First 5 Authors: , , , , | Summary: Unconditional crystal structure generation with diffusion models faces challenges in identifying symmetric crystals as the unit cell size increases. We present the Crystal Host-Guided Generation (CHGGen) framework to address this challenge through conditional generation using an inpainting method, which optimizes […]
Kavli Affiliate: Kristin A. Persson | First 5 Authors: Peichen Zhong, Xinzhe Dai, Bowen Deng, Gerbrand Ceder, Kristin A. Persson | Summary: We present Crystal Host-Guided Generation (CHGGen), a diffusion-based framework for crystal structure prediction. Unconditional generation with diffusion models demonstrates limited efficacy in identifying symmetric crystals as the unit cell size increases. CHGGen addresses […]