Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

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.

Publish with JoVE

Featured researcher

Get your video featured.

Publish with JoVE

Publications (5)

Sort by Publication Date:

|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

Frequent Collaborators

2 joint publications

Tucker Carrington

1 joint publications

Aditya Kamath

1 joint publications

Pavlo Golub

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Automatic Laser-based Geometry Capture for Finite Element Analysis of Weld Beads

Automatic Laser-based Geometry Capture for Finite Element Analysis of Weld Beads

Published on : Jul 25, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

Automatic Laser-based Geometry Capture for Finite Element Analysis of Weld Beads

Automatic Laser-based Geometry Capture for Finite Element Analysis of Weld Beads

Published on : Jul 25, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on : May 27, 2020

See more related videos