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

Quantum Numbers02:43

Quantum Numbers

50.0K
It is said that the energy of an electron in an atom is quantized; that is, it can be equal only to certain specific values and can jump from one energy level to another but not transition smoothly or stay between these levels.
50.0K
The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

57.2K
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.
57.2K
Fischer Projections02:18

Fischer Projections

16.5K
Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines. While...
16.5K
Chemistry of the Cell02:58

Chemistry of the Cell

47.9K
The cell is chemically composed of water, organic molecules and inorganic ions.
Water
The polarity of the water molecule and its resulting hydrogen bonding makes water a unique substance with special properties that are intimately tied to the processes of life. Life originally evolved in an aqueous environment, and most of an organism’s cellular chemistry and metabolism occur inside the aqueous contents of the cell’s cytoplasm. Special properties of water are its high heat capacity...
47.9K
Taping Over Different Ground Profiles01:12

Taping Over Different Ground Profiles

373
Taping over varying ground profiles requires careful adaptation to achieve accurate measurements. On smooth, level ground with minimal vegetation, the tape can rest directly on the ground. Here, the taping team, typically consisting of a head and a rear tapeman, coordinates their positions with clear communication. The rear tapeman holds the tape at the starting point and guides the head tapeman toward a range pole placed beyond the endpoint, using hand or voice signals to ensure alignment.On...
373
Newman Projections02:06

Newman Projections

20.9K
Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
20.9K

You might also read

Related Articles

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

Sort by
Same author

Reinforcement learning control of quantum error correction.

Nature·2026
Same author

Demonstrating real-time and low-latency quantum error correction with superconducting qubits.

Nature communications·2026
Same author

Highlights of the 2026 Korean Society of Hypertension guidelines for the management of hypertension: what's new and what has changed.

Clinical hypertension·2026
Same author

Efficacy and Safety of Fimasartan/Indapamide Combination Therapy versus Fimasartan Monotherapy in Patients with Essential Hypertension Inadequately Responding to Fimasartan 30 mg (FINEDUO): A Randomized, Double-Blind, Multicenter, Phase III Study.

Drug design, development and therapy·2026
Same author

N6-methyladenosine (m6A)-circHECA facilitates the differentiation of SHF stem cells into hair follicle lineage through miR-449a-5p/LEF1 mediated Wnt/β-catenin pathway in cashmere goats.

Animal bioscience·2026
Same author

Impacts of Quinone Structure on Trade-Offs Between Redox Potential and CO<sub>2</sub> Binding Strength.

Chemphyschem : a European journal of chemical physics and physical chemistry·2026

Related Experiment Video

Updated: Jan 30, 2026

Measurement of Quantum Interference in a Silicon Ring Resonator Photon Source
12:19

Measurement of Quantum Interference in a Silicon Ring Resonator Photon Source

Published on: April 4, 2017

8.8K

The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.

James S Spencer1,2, Nick S Blunt3,4, Seonghoon Choi3

  • 1Department of Physics , Imperial College London , South Kensington Campus , London SW7 2AZ , United Kingdom.

Journal of Chemical Theory and Computation
|January 26, 2019
PubMed
Summary

The HANDE-QMC code offers an open-source solution for advanced quantum Monte Carlo methods, enabling highly accurate electronic structure calculations for molecules and solids. This tool enhances computational chemistry research by providing access to full configuration interaction quantum Monte Carlo (FCIQMC), coupled cluster Monte Carlo (CCMC), and density matrix quantum Monte Carlo (DMQMC).

More Related Videos

Gradient Echo Quantum Memory in Warm Atomic Vapor
10:00

Gradient Echo Quantum Memory in Warm Atomic Vapor

Published on: November 11, 2013

13.2K
Production and Targeting of Monovalent Quantum Dots
10:16

Production and Targeting of Monovalent Quantum Dots

Published on: October 23, 2014

26.0K

Related Experiment Videos

Last Updated: Jan 30, 2026

Measurement of Quantum Interference in a Silicon Ring Resonator Photon Source
12:19

Measurement of Quantum Interference in a Silicon Ring Resonator Photon Source

Published on: April 4, 2017

8.8K
Gradient Echo Quantum Memory in Warm Atomic Vapor
10:00

Gradient Echo Quantum Memory in Warm Atomic Vapor

Published on: November 11, 2013

13.2K
Production and Targeting of Monovalent Quantum Dots
10:16

Production and Targeting of Monovalent Quantum Dots

Published on: October 23, 2014

26.0K

Area of Science:

  • Computational Quantum Chemistry
  • Materials Science
  • Electronic Structure Theory

Background:

  • Quantum Monte Carlo (QMC) methods, including diffusion Monte Carlo, have advanced electronic structure problem-solving.
  • Full Configuration Interaction Quantum Monte Carlo (FCIQMC) provides a systematic pathway to exact solutions for high-accuracy requirements.
  • FCIQMC's success spurred the development of Coupled Cluster Monte Carlo (CCMC) and Density Matrix Quantum Monte Carlo (DMQMC).

Purpose of the Study:

  • To introduce HANDE-QMC, an open-source software package.
  • To implement and provide access to FCIQMC, CCMC, and DMQMC methods.
  • To demonstrate the utility of these stochastic quantum chemical methods on diverse systems.

Main Methods:

  • Implementation of FCIQMC, CCMC, and DMQMC algorithms within the HANDE-QMC code.
  • Inclusion of initiator and semistochastic adaptations for enhanced efficiency.
  • Application of the code to model and real solid-state systems and molecular systems.

Main Results:

  • Successful demonstration of HANDE-QMC on nitric oxide, the uniform electron gas, and diamond.
  • Validation of the implemented stochastic quantum Monte Carlo techniques.
  • Provision of an accessible tool for researchers seeking high-accuracy electronic structure calculations.

Conclusions:

  • HANDE-QMC serves as a valuable open-source resource for advanced quantum Monte Carlo simulations.
  • The code facilitates accurate electronic structure calculations for various chemical and material systems.
  • The availability of FCIQMC, CCMC, and DMQMC in a single package promotes wider adoption of these powerful methods.