Jove
Visualize
Contact Us

Related Concept Videos

Speciation Rates01:07

Speciation Rates

21.9K
Overview
21.9K
Testing a Claim about Mean: Known Population SD01:11

Testing a Claim about Mean: Known Population SD

2.9K
A complete procedure of testing the hypothesis about a population mean is explained here.
Estimating a population mean requires the samples to be distributed normally. The data should be collected from the randomly selected samples having no sampling bias. The sample size needed to be higher than 30, and most importantly, the population standard deviation should be already known.
In most realistic situations, the population standard deviation is often unknown, but in rare circumstances, when it...
2.9K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning.

The Journal of chemical physics·2021
Same author

Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane.

The Journal of chemical physics·2021
Same author

Steering the outcome of a photochemical reaction-An in silico experiment on the H<sub>2</sub>CSO sulfine using few-femtosecond dump pulses.

The Journal of chemical physics·2019
Same author

A walk through the approximations of ab initio multiple spawning.

The Journal of chemical physics·2018
Same author

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers.

Nature chemistry·2014
Same journal

The influence of chirality on the macroscopic behavior of multiferroic smectic phases.

The Journal of chemical physics·2026
Same journal

Polaron transformed canonically consistent quantum master equation.

The Journal of chemical physics·2026
Same journal

The x-ray absorption spectrum of the propargyl radical C3H3●.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra.

The Journal of chemical physics·2026
Same journal

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics.

The Journal of chemical physics·2026
Same journal

Quantum state-to-state dynamics studies of the C(3P) + OH(X2Π) → CO(a3Π) + H(2S) reaction based on a new HCO(12A″) potential energy surface.

The Journal of chemical physics·2026
See all related articles
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Video

Updated: Oct 29, 2025

Spatial Multiobjective Optimization of Agricultural Conservation Practices using a SWAT Model and an Evolutionary Algorithm
11:53

Spatial Multiobjective Optimization of Agricultural Conservation Practices using a SWAT Model and an Evolutionary Algorithm

Published on: December 9, 2012

13.1K

AIMSWISS-Ab initio multiple spawning with informed stochastic selections.

Yorick Lassmann1, Basile F E Curchod1

  • 1Department of Chemistry, Durham University, South Road, Durham DH1 3LE, United Kingdom.

The Journal of Chemical Physics
|July 9, 2021
PubMed
Summary
This summary is machine-generated.

Ab initio multiple spawning with informed stochastic selections (AIMSWISS) reduces computational cost for molecular dynamics simulations. This new method efficiently manages trajectory basis functions, preserving accuracy in describing nonadiabatic transitions.

More Related Videos

Establishment and Optimization of a High Throughput Setup to Study Staphylococcus epidermidis and Mycobacterium marinum Infection as a Model for Drug Discovery
10:19

Establishment and Optimization of a High Throughput Setup to Study Staphylococcus epidermidis and Mycobacterium marinum Infection as a Model for Drug Discovery

Published on: June 26, 2014

13.4K
Incremental Temperature Changes for Maximal Breeding and Spawning in Astyanax mexicanus
06:36

Incremental Temperature Changes for Maximal Breeding and Spawning in Astyanax mexicanus

Published on: February 14, 2021

4.2K

Related Experiment Videos

Last Updated: Oct 29, 2025

Spatial Multiobjective Optimization of Agricultural Conservation Practices using a SWAT Model and an Evolutionary Algorithm
11:53

Spatial Multiobjective Optimization of Agricultural Conservation Practices using a SWAT Model and an Evolutionary Algorithm

Published on: December 9, 2012

13.1K
Establishment and Optimization of a High Throughput Setup to Study Staphylococcus epidermidis and Mycobacterium marinum Infection as a Model for Drug Discovery
10:19

Establishment and Optimization of a High Throughput Setup to Study Staphylococcus epidermidis and Mycobacterium marinum Infection as a Model for Drug Discovery

Published on: June 26, 2014

13.4K
Incremental Temperature Changes for Maximal Breeding and Spawning in Astyanax mexicanus
06:36

Incremental Temperature Changes for Maximal Breeding and Spawning in Astyanax mexicanus

Published on: February 14, 2021

4.2K

Area of Science:

  • Quantum chemistry
  • Computational chemistry
  • Molecular dynamics

Background:

  • Ab initio multiple spawning (AIMS) is a robust method for simulating excited-state molecular dynamics and nonadiabatic processes.
  • AIMS uses trajectory basis functions (TBFs) and a spawning algorithm to model nuclear wavefunctions.
  • A significant challenge in AIMS is the rapid increase in TBFs during electronic state crossings, leading to computational intractability.

Purpose of the Study:

  • Introduce a novel, parameter-free method, ab initio multiple spawning with informed stochastic selections (AIMSWISS).
  • Address the computational burden associated with the growing number of TBFs in AIMS.
  • Maintain the accuracy of AIMS in describing nonadiabatic transitions.

Main Methods:

  • Developed AIMSWISS, a variation of AIMS incorporating informed stochastic selections.
  • Implemented a parameter-free strategy to control the number of TBFs.
  • Validated the method using the photodynamics of ethylene, cyclopropanone, and fulvene.

Main Results:

  • AIMSWISS effectively manages the number of TBFs without compromising accuracy.
  • The method demonstrates reliable performance in simulating the excited-state dynamics of tested molecular systems.
  • Provides a computationally affordable alternative for multiple spawning simulations.

Conclusions:

  • AIMSWISS offers a computationally efficient and accurate approach to excited-state molecular dynamics.
  • The parameter-free nature of AIMSWISS simplifies its application.
  • This method serves as a valuable tool for studying nonadiabatic processes in molecular systems.