Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Dahvyd Wing, Guy Ohad, Jonah B. Haber, Marina R. Filip, Stephen E. Gant | Summary: Accurate prediction of fundamental band gaps of crystalline solid state systems entirely within density functional theory is a long standing challenge. Here, we present a simple and inexpensive method that achieves […]


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Non-Covalent Dimerization after Enediyne Cyclization on Au(111)

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Dimas G. de Oteyza, Alejandro PĂ©rez Paz, Yen-Chia Chen, Zahra Pedramrazi, Alexander Riss | Summary: We investigate the thermally-induced cyclization of 1,2 – bis(2 – phenylethynyl)benzene on Au(111) using scanning tunneling microscopy and computer simulations. Cyclization of sterically hindered enediynes is known to proceed via two […]


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Valley Bosonic Stimulation of Exciton-Polaritons in a Monolayer Semiconductor

Kavli Affiliate: Xiang Zhang | First 5 Authors: Pasquale Cilibrizzi, Xiaoze Liu, Peiyao Zhang, Chenzhe Wang, Quanwei Li | Summary: The newly discovered valley degree of freedom in atomically thin two-dimensional transition metal dichalcogenides offers a promising platform to explore rich nonlinear physics, such as spinor Bose-Einstein condensate (BEC) and novel valleytronics applications. However, the […]


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Virtual Distillation for Quantum Error Mitigation

Kavli Affiliate: K. Birgitta Whaley | First 5 Authors: William J. Huggins, Sam McArdle, Thomas E. O’Brien, Joonho Lee, Nicholas C. Rubin | Summary: Contemporary quantum computers have relatively high levels of noise, making it difficult to use them to perform useful calculations, even with a large number of qubits. Quantum error correction is expected […]


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Insights into photosynthetic energy transfer gained from free-energy structure: Coherent transport, incoherent hopping, and vibrational assistance revisited

Kavli Affiliate: Graham R. Fleming | First 5 Authors: Akihito Ishizaki, Graham R. Fleming, , , | Summary: Giant strides in ultrashort laser pulse technology have enabled real-time observation of dynamical processes in complex molecular systems. Specifically, the discovery of oscillatory transients in the two-dimensional electronic spectra of photosynthetic systems stimulated a number of theoretical […]


Continue.. Insights into photosynthetic energy transfer gained from free-energy structure: Coherent transport, incoherent hopping, and vibrational assistance revisited

Diversity in immunogenomics: the value and the challenge

Kavli Affiliate: Carlos Bustamante | First 5 Authors: Kerui Peng, Yana Safonova, Mikhail Shugay, Alice Popejoy, Oscar Rodriguez | Summary: With the advent of high-throughput sequencing technologies, the fields of immunogenomics and adaptive immune receptor repertoire research are facing both opportunities and challenges. Adaptive immune receptor repertoire sequencing (AIRR-seq) has become an increasingly important tool […]


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Imaging spinon density modulations in a 2D quantum spin liquid

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Wei Ruan, Yi Chen, Shujie Tang, Jinwoong Hwang, Hsin-Zon Tsai | Summary: Two-dimensional triangular-lattice antiferromagnets are predicted under some conditions to exhibit a quantum spin liquid ground state whose low-energy behavior is described by a spinon Fermi surface. Directly imaging the resulting spinons, however, is difficult […]


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Vibronic response of a spin-1/2 state from a carbon impurity in two-dimensional WS$_2$

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Katherine A. Cochrane, Jun-Ho Lee, Christoph Kastl, Jonah B. Haber, Tianyi Zhang | Summary: We demonstrate the creation of a spin-1/2 state via the atomically controlled generation of magnetic carbon radical ions (CRIs) in synthetic two-dimensional transition metal dichalcogenides (TMDs). Hydrogenated carbon impurities located at chalcogen […]


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Efficient calculation of carrier scattering rates from first principles

Kavli Affiliate: Kristin A. Persson | First 5 Authors: Alex M. Ganose, Junsoo Park, Alireza Faghaninia, Rachel Woods-Robinson, Kristin A. Persson | Summary: The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates of solid-state semiconductors and insulators from first principles inputs. The […]


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Visualizing delocalized correlated electronic states in twisted double bilayer graphene

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Canxun Zhang, Tiancong Zhu, Salman Kahn, Shaowei Li, Birui Yang | Summary: The discovery of interaction-driven insulating and superconducting phases in moir’e van der Waals heterostructures has sparked considerable interest in understanding the novel correlated physics of these systems. While a significant number of studies have […]


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