Publications
CSC research acknowledged in publications and presentations.
Please remember to continue to acknowledge the use of CSC resources with
Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.
Selected Publications
2019
Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys
Ab initio study of enhanced thermal conductivity in ordered AlGaO3 alloys. Applied Physics Letters, 115, 242103. https://doi.org/10.1063/1.5131755
. (2019). Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys
Ab initio-informed phase-field modeling of dislocation core structures in equal-molar CoNiRu multi-principal element alloys. Modelling And Simulation In Materials Science And Engineering. https://doi.org/10.1088/1361-651X/ab3b62
. (2019). Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane
Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry Of Materials. https://doi.org/10.1021/acs.chemmater.9b01224
. (2019). Atomistic simulations of dipole tilt wall stability in thin films
Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films. https://doi.org/10.1016/j.tsf.2019.137457 (Original work published 07/2019 C.E.)
. (2019). Atomistic simulations of tungsten nanotubes under uniform tensile loading
Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal Of Applied Physics, 126, 095105. https://doi.org/10.1063/1.5110167
. (2019). Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine
Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine. Chemistry\Textendasha European Journal. https://doi.org/10.1002/chem.201903832
. (2019). Barrier from chaos: operator entanglement dynamics of the reduced density matrix
Barrier from chaos: operator entanglement dynamics of the reduced density matrix. Journal Of High Energy Physics, 2019, 20. https://doi.org/10.1007/JHEP12(2019)020
. (2019). Beamspace Local LMMSE: An Efficient Digital Backend for mmWave Massive MIMO
Beamspace Local LMMSE: An Efficient Digital Backend for mmWave Massive MIMO. Presented at the. IEEE. https://doi.org/10.1109/SPAWC.2019.8815585
. (2019). Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies
Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies. Chemistry Of Materials. https://doi.org/10.1021/acs.chemmater.8b04542
. (2019). The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds
The capricious nature of iodine catenation in I2 excess, perovskite-derived hybrid Pt(IV) compounds. Chemical Communications, 55, 588-591. https://doi.org/10.1039/c8cc07536k (Original work published 01/2019 C.E.)
. (2019). Characterization of fracture in topology-optimized bioinspired networks
Characterization of fracture in topology-optimized bioinspired networks. Physical Review E, 100, 042402. https://doi.org/10.1103-PhysRevE.100.042402
. (2019). Charge Recombination Dynamics in Organic Photovoltaic Systems with Enhanced Dielectric Constant
Charge Recombination Dynamics in Organic Photovoltaic Systems with Enhanced Dielectric Constant. Advanced Functional Materials, 1901269. https://doi.org/https://doi.org/10.1002/adfm.201901269
. (2019). A comparison of different continuum approaches in modeling mixed-type dislocations in Al
A comparison of different continuum approaches in modeling mixed-type dislocations in Al. Modelling And Simulation In Materials Science And Engineering. https://doi.org/https://doi.org/10.1088/1361-651X/ab2d16
. (2019). Complete Phase Diagram for Liquid\textendashLiquid Phase Separation of Intrinsically Disordered Proteins
Complete Phase Diagram for Liquid\textendashLiquid Phase Separation of Intrinsically Disordered Proteins. The Journal Of Physical Chemistry Letters, 10, 1644-1652. https://doi.org/10.1021/acs.jpclett.9b00099 (Original work published 03/2019 C.E.)
. (2019). Connecting the Simpler Structures to Topologically Close-Packed Phases
Connecting the Simpler Structures to Topologically Close-Packed Phases. Physical Review Letters, 121, 255701. https://doi.org/https://doi.org/10.1103/PhysRevLett.121.255701
. (2019). Contrasting Dielectric Properties of Electrolyte Solutions with Polar and Polarizable Solvents
Contrasting Dielectric Properties of Electrolyte Solutions with Polar and Polarizable Solvents. Physical Review Letters, 122. https://doi.org/10.1103/PhysRevLett.122.128007 (Original work published 03/2019 C.E.)
. (2019). Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models
Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models. The Journal Of Chemical Physics, 151, 094501. https://doi.org/10.1063/1.5111545
. (2019). Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability
Deep Neural Network Classifier for Variable Stars with Novelty Detection Capability. The Astrophysical Journal Letters, 877, L14. https://doi.org/https://doi.org/10.3847/2041-8213/ab212c
. (2019). Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4
Fermi-level Dirac crossings in 4 d and 5 d cubic metal oxides: NaPd 3 O 4 and NaPt 3 O 4. Physical Review B, 99, 195148. https://doi.org/10.1103/PhysRevB.99.195148
. (2019). First-principles study of antisite defects in perovskite stannates
First-principles study of antisite defects in perovskite stannates. Journal Of Applied Physics, 126, 195701. https://doi.org/10.1063/1.5126206
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