Quantum Simulation
583 papers from PubMed
Showing 1-12 of 583
A 3D scan-driven method for activity estimation under complex source-detector geometries.
Lee J, Cho S, Kim J, Kim H, Kim YS
A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English.
Mbogo BP, Fernsebner SR, Lawal MM, Lundberg DJ, Kucukkal TG
A comprehensive first-principles analysis of the dynamical, structural, mechanical, electronic and thermodynamic properties of full-Heusler alloys X (2)MgSi (X = Ru, Rh, Pd).
Yıldız GD, Yıldız YG, Çanlı M, Arıkan N
A Facile Magnetically-Confined Plasma Strategy for Distinct Phase Modulation of Iron Nitride Nano-Frameworks.
Ouyang B, Yu F, Du Y, Zhang Z, Chen H, Liu S, Kan E, Rawat RS
A First-Principles Study of Monolayer B(4)Cl(4): Structural Stability, Anisotropic Electronic Properties, and Ballistic Transport Projections in Sub‑5 nm MOSFETs.
Li Z, Zhang Z, Liang S, Wang X, Han J
A Floquet gap finally opens in graphene.
Sentef MA, Reutzel M
A Fluorescence Microscopy Platform for Time-Resolved Studies of Spin-Correlated Radical Pairs in Biological Systems.
Ikeya N, Woodward JR
A gallium arsenide hybrid-pixel counting detector for 100 keV cryo-electron microscopy.
Zambon P, Montemurro GV, Fernandez-Perez S, Schnyder R, Lehmann N, Sakhelashvili T, Burkhalter S, Meffert M, Jensen A, Würsch P, Jud PA, Dudina A, Kaspar S, Schulze-Briese C
A high-frequency silicon-graphene-germanium barristor.
Wang X, Sun S, Qiao Z, Jiang H, Li C, Jiang H, Bai J, Song X, Li X, Wang X, Zhu X, Feng S, Li B, Liang J, Wang L, Xue Z, Ohno Y, Gao J, Di Z, Sun D, Liu C
A la carte bioprospecting of substrate-selective laccases via high-throughput computational enzyme-substrate interaction profiling.
Xiang R, Campos HB, Bassegoda A, Østergaard LH, Schnorr KM, Guallar V
A methionine-lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase.
Ringel M, Helmer CPO, Zev S, Driller R, Buhr E, Reinbold M, Schwartz R, Foley G, Boden M, Garbe D, Schenk G, Major DT, Loll B, Brück T
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs.
Woo J, Choi S