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Bes-ercap0023692

Funded outputs count: 7
Funder award ID: BES-ERCAP0023692
OpenAlex ID: G4280833397
Effect of surface heterogeneity on electrolyte stability in Mg-metal batteries: Insights from ab initio molecular dynamics
2026 · Ankita Narwal, Juchen Guo, et al. · Materials Reports Energy
Large-scale ab initio molecular dynamics for assessing stabilities of near-surface NV centers
2025 · Kamal Sharkas, Gabriel S. Phun, et al. · Applied Physics Letters · 4
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Unconventional nonlinear Hall effects in twisted multilayer 2D materials
2025 · Mahmut Sait Okyay, Min Choi, et al. · npj 2D Materials and Applications · 13
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Photoinduced Electron–Nuclear Dynamics of Fullerene and Its Monolayer Networks in Solvated Environments
2024 · Qiang Xu, Daniel Weinberg, et al. · Journal of the American Chemical Society · 10
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VAN-DAMME: GPU-accelerated and symmetry-assisted quantum optimal control of multi-qubit systems
2024 · José M. Rodríguez-Borbón, Xian Wang, et al. · Computer Physics Communications · 4
TRAVOLTA: GPU acceleration and algorithmic improvements for constructing quantum optimal control fields in photo-excited systems
2023 · José M. Rodríguez-Borbón, Xian Wang, et al. · Computer Physics Communications · 7
Velocity-Gauge Real-Time Time-Dependent Density Functional Tight-Binding for Large-Scale Condensed Matter Systems
2023 · Qiang Xu, Mauro Del Ben, et al. · Journal of Chemical Theory and Computation · 13
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