High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations von Guo, Hengkai, Baker, Jack S, Wu, Wei, Choy, Kwang Leong

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The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO3 perovskites von Baker, Jack S, Miyazaki, Tsuyoshi, Bowler, David R

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Origin of Ferroelectric Domain Wall Alignment with Surface Trenches in Ultrathin Films von Baker, Jack S., Bowler, David R.

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Large scale and linear scaling DFT with the CONQUEST code von Nakata, Ayako, Baker, Jack S., Mujahed, Shereif Y., Poulton, Jack T. L., Arapan, Sergiu, Lin, Jianbo, Raza, Zamaan, Yadav, Sushma, Truflandier, Lionel, Miyazaki, Tsuyoshi, Bowler, David R.

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GradDFT. A software library for machine learning enhanced density functional theory von M. Casares, Pablo A., Baker, Jack S., Medvidović, Matija, Reis, Roberto dos, Arrazola, Juan Miguel

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Highly accurate local basis sets for large-scale DFT calculations in conquest von Bowler, David R., Baker, Jack S., Poulton, Jack T. L., Mujahed, Shereif Y., Lin, Jianbo, Yadav, Sushma, Raza, Zamaan, Miyazaki, Tsuyoshi

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First-principles soft-mode lattice dynamics of PbZr0.5Ti0.5O3 and shortcomings of the virtual crystal approximation von Baker, Jack S, Bowler, David R

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Original Research By Young Twinkle Students (ORBYTS): when can students start performing original research? von Sousa-Silva, Clara, McKemmish, Laura K, Chubb, Katy L, Gorman, Maire N, Baker, Jack S, Barton, Emma J, Rivlin, Tom, Tennyson, Jonathan

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Bringing pupils into the ORBYTS of research von McKemmish, Laura K, Chubb, Katy L, Rivlin, Tom, Baker, Jack S, Gorman, Maire N, Heward, Anita, Dunn, William, Tessenyi, Marcell

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Polar Morphologies from First Principles: PbTiO3 Films on SrTiO3 Substrates and the p(2×Λ) Surface Reconstruction von Baker, Jack S., Bowler, David R.

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High Dielectric Constants in BaTiO 3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations von Guo, Hengkai, Baker, Jack S., Wu, Wei, Choy, Kwang Leong

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Polar Morphologies from First Principles: PbTiO 3 Films on SrTiO 3 Substrates and the p(2×Λ) Surface Reconstruction von Baker, Jack S., Bowler, David R.

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Parallel hybrid quantum-classical machine learning for kernelized time-series classification von Baker, Jack S., Park, Gilchan, Yu, Kwangmin, Ghukasyan, Ara, Goktas, Oktay, Radha, Santosh Kumar

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First-principles soft-mode lattice dynamics of PbZr 0.5 Ti 0.5 O 3 and shortcomings of the virtual crystal approximation von Baker, Jack S., Bowler, David R.

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The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO 3 perovskites von Baker, Jack S, Miyazaki, Tsuyoshi, Bowler, David R

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Simulating optically active spin defects with a quantum computer von Baker, Jack S., Casares, Pablo A. M., Zini, Modjtaba Shokrian, Thik, Jaydeep, Banerjee, Debasish, Ling, Chen, Delgado, Alain, Arrazola, Juan Miguel

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Wasserstein Solution Quality and the Quantum Approximate Optimization Algorithm: A Portfolio Optimization Case Study von Baker, Jack S, Radha, Santosh Kumar

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Origin of ferroelectric domain wall alignment with surface trenches in ultrathin films von Baker, Jack S, Bowler, David R

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High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations von Guo, Hengkai, Baker, Jack S, Wu, Wei, Choy, Kwang Leong

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A Quantum-Inspired Binary Optimization Algorithm for Representative Selection von Hughes, Anna G, Baker, Jack S, Radha, Santosh Kumar

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