87 citations · 358 across the 8 of their papers we have counts for
8 papers
Real-time 3D analysis during electron tomography using tomviz
Jonathan Schwartz, Chris Harris, Jacob Pietryga +13
The demand for high-throughput electron tomography is rapidly increasing in biological and material sciences. However, this 3D imaging technique is computationally bottlenecked by…
eQE 2.0: Subsystem DFT Beyond GGA Functionals
Wenhui Mi, Xuecheng Shao, Alessandro Genova +2
By adopting a divide-and-conquer strategy, subsystem-DFT (sDFT) can dramatically reduce the computational cost of large-scale electronic structure calculations. The key ingredients…
DFTpy: An efficient and object-oriented platform for orbital-free DFT simulations
Xuecheng Shao, Kaili Jiang, Wenhui Mi +2
In silico materials design is hampered by the computational complexity of Kohn-Sham DFT, which scales cubically with the system size. Owing to the development of new-generation kin…
Cooperation and Environment Characterize the Low-Lying Optical Spectrum of Liquid Water
Sudheer Kumar P., Michele Pavanello
The optical spectrum of liquid water is analyzed by subsystem time-dependent density functional theory. We provide simple explanations for several important (and so far elusive) fe…
Nonlocal Kinetic Energy Functionals By Functional Integration
Wenhui Mi, Alessandro Genova, Michele Pavanello
Since the seminal works of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the tou…
Subsystem Density-Functional Theory as an Effective Tool for Modeling Ground and Excited States, their Dynamics, and Many-Body Interactions
Alisa Krishtal, Debalina Sinha, Alessandro Genova +1
Subsystem Density-Functional Theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review…
Periodic Subsystem Density-Functional Theory
Alessandro Genova, Davide Ceresoli, Michele Pavanello
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reduc…
Physical understanding of an echo-Doppler test with voice-induced vibration
Alessio D'Alessandro, Massimo Calabrese, Giuseppe Minetti +2
The physical understanding of a method of detecting mammalian cancer via vocalization during a normal echo-Doppler test is provided. The backscattered ultrasound frequency in the c…