Yi Yao

5PUBLICATIONS
13CO-AUTHORS
Theoretical quantum chemistryRadiation and matterTransport properties and non-equilibrium processesAcceleratorsChemical thermodynamics and energetics
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|Jul 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.

Sebastian Kokott, Florian Merz, Yi Yao

|Jul 10, 2024
Efficient exact exchange using Wannier functions and other related developments in planewave-pseudopotential implementation of RT-TDDFT.

Christopher Shepard, Ruiyi Zhou, John Bost

|Jul 07, 2021
Nuclear Quantum Effect and Its Temperature Dependence in Liquid Water from Random Phase Approximation via Artificial Neural Network.

Yi Yao, Yosuke Kanai

|Dec 13, 2019
First-Principles Modeling of Electronic Stopping in Complex Matter under Ion Irradiation.

Dillon C Yost, Yi Yao, Yosuke Kanai

|Dec 29, 2017
Free Energy Profile of NaCl in Water: First-Principles Molecular Dynamics with SCAN and ωB97X-V Exchange-Correlation Functionals.

Yi Yao, Yosuke Kanai

Pageof 1

Frequent Collaborators

3 joint publications

Yosuke Kanai

1 joint publications

Dillon C Yost

1 joint publications

Christopher Shepard

1 joint publications

Ruiyi Zhou