Benchmarking the performance of DFT functionals for absorption and fluorescence spectra of EGFR inhibitor AG-1478 using TD-DFT

Kavli Affiliate: Feng Wang | First 5 Authors: Sallam Alagawani, Vladislav Vasilyev, Feng Wang, , | Summary: Optical spectra (UV-vis and fluorescence) are sensitive to the chemical environment and conformation of fluorophores and therefore, are ideal probes for their conformation and solvent responses. Tyrosine kinase inhibitors (TKI) such as AG-1478 of epidermal growth factor receptor […]


Continue.. Benchmarking the performance of DFT functionals for absorption and fluorescence spectra of EGFR inhibitor AG-1478 using TD-DFT

Using principal stratification in analysis of clinical trials

Kavli Affiliate: Xiang Zhang | First 5 Authors: Ilya Lipkovich, Bohdana Ratitch, Yongming Qu, Xiang Zhang, Mingyang Shan | Summary: The ICH E9(R1) addendum (2019) proposed principal stratification (PS) as one of five strategies for dealing with intercurrent events. Therefore, understanding the strengths, limitations, and assumptions of PS is important for the broad community of […]


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Dataset of gold nanoparticle sizes and morphologies extracted from literature-mined microscopy images

Kavli Affiliate: Paul Alivisatos | First 5 Authors: Akshay Subramanian, Kevin Cruse, Amalie Trewartha, Xingzhi Wang, A. Paul Alivisatos | Summary: The factors controlling the size and morphology of nanoparticles have so far been poorly understood. Data-driven techniques are an exciting avenue to explore this field through the identification of trends and correlations in data. […]


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Optimizing frequency allocation for fixed-frequency superconducting quantum processors

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Alexis Morvan, Larry Chen, Jeffrey M. Larson, David I. Santiago, Irfan Siddiqi | Summary: Fixed-frequency superconducting quantum processors are one of the most mature quantum computing architectures with high-coherence qubits and low-complexity controls. However, high-fidelity multi-qubit gates pose tight requirements on individual qubit frequencies in these processors […]


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A Catalog of LAMOST Variable Sources Based on Time-domain Photometry of ZTF

Kavli Affiliate: Feng Wang | First 5 Authors: Tingting Xu, Chao Liu, Feng Wang, Weirong Huang, Hui Deng | Summary: The identification and analysis of different variable sources is a hot issue in astrophysical research. The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) spectroscopic survey has accumulated massive spectral data but contains no information […]


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Microscopic Theory of Magnetic Disorder-Induced Decoherence in Superconducting Nb Films

Kavli Affiliate: Kristin A. Persson | First 5 Authors: Evan Sheridan, Thomas F. Harrelson, Eric Sivonxay, Kristin A. Persson, M. Virginia P. AltoĆ© | Summary: The performance of superconducting qubits is orders of magnitude below what is expected from theoretical estimates based on the loss tangents of the constituent bulk materials. This has been attributed […]


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Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films

Kavli Affiliate: Irfan Siddiqi | First 5 Authors: Thomas F. Harrelson, Evan Sheridan, Ellis Kennedy, John Vinson, Alpha T. N’Diaye | Summary: Qubits made from superconducting materials are a mature platform for quantum information science application such as quantum computing. However, materials-based losses are now a limiting factor in reaching the coherence times needed for […]


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Long-range, Non-local Switching of Spin Textures in a Frustrated Antiferromagnet

Kavli Affiliate: Joel Moore | First 5 Authors: Shannon C. Haley, Eran Maniv, Tessa Cookmeyer, Susana Torres-Londono, Meera Aravinth | Summary: Antiferromagnetic spintronics is an emerging area of quantum technologies that leverage the coupling between spin and orbital degrees of freedom in exotic materials. Spin-orbit interactions allow spin or angular momentum to be injected via […]


Continue.. Long-range, Non-local Switching of Spin Textures in a Frustrated Antiferromagnet

Long-range, Non-local Switching of Spin Textures in a Frustrated Antiferromagnet

Kavli Affiliate: Joel Moore | First 5 Authors: Shannon C. Haley, Eran Maniv, Tessa Cookmeyer, Susana Torres-Londono, Meera Aravinth | Summary: Antiferromagnetic spintronics is an emerging area of quantum technologies that leverage the coupling between spin and orbital degrees of freedom in exotic materials. Spin-orbit interactions allow spin or angular momentum to be injected via […]


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Gate-tunable artificial nucleus in graphene

Kavli Affiliate: Michael F. Crommie | First 5 Authors: Mykola Telychko, Keian Noori, Hillol Biswas, Dikshant Dulal, Pin Lyu | Summary: We report an atomically-precise integration of individual nitrogen (N) dopant as an in-plane artificial nucleus in a graphene device by atomic implantation to probe its gate-tunable quantum states and correlation effects. The N dopant […]


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