Jove
Visualize
Contact Us
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 Concept Videos

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

47.6K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
47.6K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

33.1K
Overview of Molecular Orbital Theory
33.1K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

19.9K
Molecular Orbital Energy Diagrams
19.9K
Equation of Rotational Dynamics01:08

Equation of Rotational Dynamics

8.9K
Angular variables are introduced in rotational dynamics. Comparing the definitions of angular variables with the definitions of linear kinematic variables, it is seen that there is a mapping of the linear variables to the rotational ones. Linear displacement, velocity, and acceleration have their equivalents in rotational motion, which are angular displacement, angular velocity, and angular acceleration. Similar to the rotational variables, a mapping exists from Newton's second law of motion...
8.9K
Equilibrium Conditions for a Particle01:23

Equilibrium Conditions for a Particle

1.5K
When an object is in equilibrium, it is either at rest or moving with a constant velocity. There are two types of equilibrium: static and dynamic. Static equilibrium occurs when an object is at rest, while dynamic equilibrium occurs when an object is moving with a constant velocity. In both cases, there must be a balance of forces acting on the object.
To understand the concept of equilibrium, let us first consider the forces acting on an object. When different forces act on an object, they can...
1.5K
Conservation of Angular Momentum: Application01:18

Conservation of Angular Momentum: Application

11.4K
A system's total angular momentum remains constant if the net external torque acting on the system is zero. Examples of such systems include a freely spinning bicycle tire that slows over time due to torque arising from friction, or the slowing of Earth's rotation over millions of years due to frictional forces exerted on tidal deformations. However in the absence of a net external torque, the angular momentum remains conserved. The conservation of angular momentum principle requires a...
11.4K

You might also read

Related Articles

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

Sort by
Same author

Non-adiabatic quantum interference and complex formation in ultracold collisions of Rb with KRb.

Physical chemistry chemical physics : PCCP·2026
Same author

Mixed Quantum/Classical Theory for Rotational Excitation of HDO in Collisions with H<sub>2</sub>: Symmetry Breaking Effects and Time-Dependent Dynamics.

Journal of chemical theory and computation·2025
Same author

Neural network ensemble for computing cross sections of rotational transitions in H<sub>2</sub>O + H<sub>2</sub>O collisions.

Physical chemistry chemical physics : PCCP·2025
Same author

Quantum Simulation of Molecular Dynamics Processes─A Benchmark Study Using a Classical Simulator and Present-Day Quantum Hardware.

The journal of physical chemistry. A·2025
Same author

Nonadiabatically Driven Quantum Interference Effects in the Ultracold K + KRb → Rb + K<sub>2</sub> Chemical Reaction.

The journal of physical chemistry letters·2025
Same author

Mixed quantum/classical theory for rotationally inelastic scattering of identical collision partners revised.

Physical chemistry chemical physics : PCCP·2024
Same journal

Improving PCM in Protic Media: Markov State Models for TD-DFT Calculations.

Journal of chemical theory and computation·2026
Same journal

Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture.

Journal of chemical theory and computation·2026
Same journal

Extending the MARTINI 3 Coarse-Grained Force Field to Polypeptoids.

Journal of chemical theory and computation·2026
Same journal

Statistical Mechanics of Density- and Temperature-Dependent Potentials: Application to Condensed Phases within GenDPDE.

Journal of chemical theory and computation·2026
Same journal

BFEE-Docking: A User-Friendly and Customizable End-to-End Tool from High-Throughput Virtual Screening to Binding Free-Energy Calculations.

Journal of chemical theory and computation·2026
Same journal

On-the-Fly Trajectory Simulation of Two-Pulse, Three-Pulse, and Higher-Order Pump-Probe Signals.

Journal of chemical theory and computation·2026
See all related articles

Related Experiment Video

Updated: Sep 19, 2025

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

9.8K

Mixed Quantum/Classical Theory Approach to Rotationally Inelastic Molecular Collisions Implemented on a Quantum

Jonathan Andrade-Plascencia1,2, Tamila Kuanysheva1, Dulat Bostan1

  • 1Chemistry Department, Marquette University, Milwaukee, Wisconsin 53201-1881, United States.

Journal of Chemical Theory and Computation
|June 16, 2025
PubMed
Summary
This summary is machine-generated.

Researchers developed a quantum algorithm for molecule-atom scattering using mixed quantum/classical theory. This novel approach successfully ran on quantum hardware, demonstrating a significant step in quantum computation for chemical dynamics.

More Related Videos

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
05:30

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit

Published on: September 8, 2023

671
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

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

Published on: May 27, 2020

8.6K

Related Experiment Videos

Last Updated: Sep 19, 2025

Direct Imaging of Laser-driven Ultrafast Molecular Rotation
10:52

Direct Imaging of Laser-driven Ultrafast Molecular Rotation

Published on: February 4, 2017

9.8K
Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit
05:30

Large Scale Energy Efficient Sensor Network Routing Using a Quantum Processor Unit

Published on: September 8, 2023

671
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

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

Published on: May 27, 2020

8.6K

Area of Science:

  • Quantum Computing
  • Chemical Physics
  • Computational Chemistry

Background:

  • Simulating molecular collisions is crucial for understanding chemical reactions.
  • Traditional methods face computational challenges for complex systems.
  • Mixed quantum/classical (MQCT) theory offers a hybrid approach.

Purpose of the Study:

  • To outline a quantum algorithm for rotationally inelastic molecule-atom scattering.
  • To implement and test this algorithm on actual quantum hardware.
  • To demonstrate the feasibility of quantum computation for chemical dynamics simulations.

Main Methods:

  • Developed a quantum algorithm combining quantum mechanics for molecular rotation and classical mechanics for scattering.
  • Utilized the time-dependent Schrödinger equation for quantum mechanical treatment.
  • Precomputed potential coupling matrices on classical processors and used quantum hardware for solving coupled equations.

Main Results:

  • Quantum codes written in Qiskit were rigorously tested on a classical emulator for N₂ + O collisions.
  • Successful execution of the algorithm on real quantum hardware (IBM Brisbane, Kyiv, Sherbrooke).
  • Obtained very good agreement between quantum computation results and benchmark data.

Conclusions:

  • This study presents the first proof-of-principle calculation of inelastic scattering using a mixed quantum/classical framework on a quantum computer.
  • The successful implementation validates the potential of quantum computing for advancing chemical dynamics simulations.
  • The developed algorithm and circuits are ready for practical implementation in future quantum chemistry research.