Results 1 to 10 of about 1,274,639 (308)

First-principles simulation of spin diffusion in static solids using dynamic mean-field theory. [PDF]

Sci Adv
Gräßer T, Uhrig GS, Ernst M.
europepmc   +1 more source

First-principles insights into the Janus MoPC monolayer as a promising anode for sodium-ion batteries. [PDF]

RSC Adv
Vu TV, Hoang DQ, Ho TH, Tong HD, Pham KD.   +4 more
europepmc   +1 more source

Improving the Precision of First-Principles Calculation of Parton Physics from Lattice Quantum Chromodynamics. [PDF]

Research (Wash D C)
Zhao Y.
europepmc   +1 more source

Molecular Catalysts for the Hydrogen Evolution Reaction: A First-Principles Study. [PDF]

ACS Omega
Lemay S, Paradis F, Cibian M, Antonius G.   +3 more
europepmc   +1 more source

First principles rationale of strain-induced modifications in hybrid double halide perovskite: optoelectronics and photovoltaic perspectives. [PDF]

RSC Adv
Kalita T, Rajak M, Kalita DJ.
europepmc   +1 more source

First-Principles Thermodynamics of Hydrogen Absorption in Binary C15 Laves Phases. [PDF]

Chem Mater
Paetsch CA, Natarajan AR.
europepmc   +1 more source

A first-principles quantitative framework for how cohesin regulators shape chromatin loop extrusion. [PDF]

Cell Genom
Huang Z, Liu X, Ding J.
europepmc   +1 more source

Unlocking Fast Na⁺ Migration in F-Doped O3-Type Cathodes via First-Principles Calculations. [PDF]

Nanomaterials (Basel)
Wu H, Guo Y, Zu G, Li Y.
europepmc   +1 more source

Benchmarking of Ultrascaled Monolayer Halogenated Borophene Transistors: A Comprehensive First-Principles Quantum Transport Study. [PDF]

ACS Omega
Zhang S, Guo Z, Shen Q, Du S, Xie H, Yin WY.   +5 more
europepmc   +1 more source