Sergei Manzhos

5PUBLICATIONS
3CO-AUTHORS
Time series and spatial modellingNumerical solution of differential and integral equationsNonlinear optics and spectroscopyComputational chemistryCondensed matter modelling and density functional theory
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (5)

|Aug 24, 2020
Data-driven kinetic energy density fitting for orbital-free DFT: Linear vs Gaussian process regression.

Sergei Manzhos, Pavlo Golub

|Dec 04, 2018
Using rectangular collocation with finite difference derivatives to solve electronic Schrödinger equation.

Sergei Manzhos, Tucker Carrington

|Aug 03, 2018
Comparison of optical absorption spectra of organic molecules and aggregates computed from real frequency dependent polarizability to TD-DFT and the dipole approximation.

Siong Tuan Ang, Amrita Pal, Sergei Manzhos

|Jul 02, 2018
Neural networks vs Gaussian process regression for representing potential energy surfaces: A comparative study of fit quality and vibrational spectrum accuracy.

Aditya Kamath, Rodrigo A Vargas-Hernández, Roman V Krems

|Jun 06, 2018
Influence of the aggregate state on band structure and optical properties of C60 computed with different methods.

Amrita Pal, Saeid Arabnejad, Koichi Yamashita

Pageof 1

Frequent Collaborators

2 joint publications

Tucker Carrington

1 joint publications

Aditya Kamath

1 joint publications

Pavlo Golub