Simulations find CO2 hydrate nucleation prefers bulk liquid regions of high CO2 concentration over the gas-water interface under deep supercooling.
The Journal of Chemical Physics , volume =
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LPT-matched integrators for cosmological simulations outperform FastPM with O(1-100) timesteps while convergence is limited to order 3/2 post-shell-crossing due to acceleration field irregularity.
2D water-alcohol mixtures stay fully miscible with micro-segregation that grows with alcohol chain length, driven by water self-aggregation but limited by rim contacts, due to reorganization of fluctuations under charge ordering.
Ionic liquid in 2D angstrom channels shows non-monotonic conductivity peaking at 26.7 S/m (30x bulk) at 1.02 nm height from ion rearrangements, boosted to 145 S/m with co-solvents like ACN.
A tailored quantum multi-programming workflow for the LUCJ ansatz enables parallel circuit execution with SQD/ext-SQD post-processing that mitigates cross-talk, yielding ethanol energies within 0.001 kcal/mol of classical HCI references.
I-QMapper is a Jupyter-based interactive tool that combines qubit layout construction with real-time and historical calibration analytics for error-aware mapping on superconducting NISQ devices.
DeltaDiff is a physics-guided inference method that predicts mutant protein structures from a baseline diffusion model without retraining, tested on three systems with nonlocal changes.
citing papers explorer
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Bulk versus interface nucleation of CO$_2$ hydrates from computer simulations
Simulations find CO2 hydrate nucleation prefers bulk liquid regions of high CO2 concentration over the gas-water interface under deep supercooling.
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Perturbation-theory informed integrators for cosmological simulations
LPT-matched integrators for cosmological simulations outperform FastPM with O(1-100) timesteps while convergence is limited to order 3/2 post-shell-crossing due to acceleration field irregularity.
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Aqueous-alcohol mixtures in dimension two: miscibility and micro-segregation
2D water-alcohol mixtures stay fully miscible with micro-segregation that grows with alcohol chain length, driven by water self-aggregation but limited by rim contacts, due to reorganization of fluctuations under charge ordering.
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Enhanced Ionic Conductivity of confined Ionic-Liquid in Angstrom-scale 2D channels
Ionic liquid in 2D angstrom channels shows non-monotonic conductivity peaking at 26.7 S/m (30x bulk) at 1.02 nm height from ion rearrangements, boosted to 145 S/m with co-solvents like ACN.
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A Quantum Multi-Programming Framework to Maximize Quantum Resources for the LUCJ Ansatz
A tailored quantum multi-programming workflow for the LUCJ ansatz enables parallel circuit execution with SQD/ext-SQD post-processing that mitigates cross-talk, yielding ethanol energies within 0.001 kcal/mol of classical HCI references.
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I-QMapper: Error-Aware Layout Optimization and Device Diagnostics for NISQ Hardware
I-QMapper is a Jupyter-based interactive tool that combines qubit layout construction with real-time and historical calibration analytics for error-aware mapping on superconducting NISQ devices.
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DeltaDiff: Training-Free, Physics-Guided Machine Learning for Predicting Mutant Protein Structures
DeltaDiff is a physics-guided inference method that predicts mutant protein structures from a baseline diffusion model without retraining, tested on three systems with nonlocal changes.