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
2022
Shock-induced amorphization in medium entropy alloy CoCrNi
Shock-induced amorphization in medium entropy alloy CoCrNi. Scripta Materialia, 209, 114379.
. (2022). Simulation-guided analysis of resonant soft X-ray scattering for determining the microstructure of triblock copolymers
Simulation-guided analysis of resonant soft X-ray scattering for determining the microstructure of triblock copolymers. Molecular Systems Design \& Engineering, 7, 1449\textendash1458.
. (2022). Simulations of Bose Dynamics at Finite Temperature by Complex Langevin Sampling Coherent States on a Keldysh Contour
Simulations of Bose Dynamics at Finite Temperature by Complex Langevin Sampling Coherent States on a Keldysh Contour. Bulletin Of The American Physical Society.
. (2022). Simultaneous High-Strength and Deformable Nanolaminates With Thick Biphase Interfaces
Simultaneous High-Strength and Deformable Nanolaminates With Thick Biphase Interfaces. Nano Letters, 22, 1897\textendash1904.
. (2022). Sluggish dislocation mobility and high propensity for cross-slip at elevated temperatures in the MoNbTi Refractory Multi-Principal Element Alloy
Sluggish dislocation mobility and high propensity for cross-slip at elevated temperatures in the MoNbTi Refractory Multi-Principal Element Alloy.
. (2022). Spatially redundant, precision-constrained transmit precoding for mmWave LoS MIMO
Spatially redundant, precision-constrained transmit precoding for mmWave LoS MIMO. Presented at the. IEEE.
. (2022). Spontaneous tilt of single-clamped thermal elastic sheets
Spontaneous tilt of single-clamped thermal elastic sheets. Physical Review Letters, 128, 028006.
. (2022). Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor
Stacking Faults Assist Lithium-Ion Conduction in a Halide-Based Superionic Conductor. Journal Of The American Chemical Society.
. (2022). Stochastic cRPA calculations of screened interactions in graphene moire states at high pressures
Stochastic cRPA calculations of screened interactions in graphene moire states at high pressures. Bulletin Of The American Physical Society.
. (2022). Stochastic many-body calculations of moir\ e states in twisted bilayer graphene at high pressures
Stochastic many-body calculations of moir\ e states in twisted bilayer graphene at high pressures. Npj Computational Materials, 8, 1\textendash10.
. (2022). A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid
A sustainable synthesis of the SARS-CoV-2 Mpro inhibitor nirmatrelvir, the active ingredient in Paxlovid. Communications Chemistry, 5, 1\textendash7.
. (2022). Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes
Synthetic control of structure and conduction properties in Na\textendashY\textendashZr\textendashCl solid electrolytes. Journal Of Materials Chemistry A, 10, 21565\textendash21578.
. (2022). Tachykinin Neuropeptides and Amyloid β (25\textendash35) Assembly: Friend or Foe?
Tachykinin Neuropeptides and Amyloid β (25\textendash35) Assembly: Friend or Foe?. Journal Of The American Chemical Society, 144, 14614\textendash14626.
. (2022). Thick interface size effect on dislocation transmission in nanolaminates
Thick interface size effect on dislocation transmission in nanolaminates. Presented at the. IOP Publishing.
. (2022). Topological surface states and flat bands in the kagome superconductor CsV3Sb5
Topological surface states and flat bands in the kagome superconductor CsV3Sb5. Science Bulletin, 67, 495\textendash500.
. (2022). A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study
A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study. The Journal Of Physical Chemistry B.
. (2022). Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys
Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys. Physical Review Materials, 6, 013605.
. (2022). Transport in a kicked Aubry-Andr\ e Harper model
Transport in a kicked Aubry-Andr\ e Harper model. Bulletin Of The American Physical Society.
. (2022). Unlocking New Redox Activity in Alluaudite Cathodes through Compositional Design
Unlocking New Redox Activity in Alluaudite Cathodes through Compositional Design. Chemistry Of Materials.
. (2022). All-digital LoS MIMO with low-precision analog-to-digital conversion
All-digital LoS MIMO with low-precision analog-to-digital conversion. Ieee Transactions On Wireless Communications, 21, 5600-5613.
. (2022).