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

Laura Gagliardi

14PUBLICATIONS
62CO-AUTHORS
Theoretical quantum chemistryNumerical solution of differential and integral equationsChemical and thermal processes in energy and combustionIntegrable systems (classical and quantum)Metal organic frameworks
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (14)

Sort by Publication Date:
|Jan 01, 2022
Quantum-classical hybrid algorithm for the simulation of all-electron correlation.

Jan-Niklas Boyn, Aleksandr O Lykhin, Scott E Smart

|Feb 20, 2021
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states.

Thais R Scott, Meagan S Oakley, Matthew R Hermes

|Jul 10, 2020
Analytic gradients for state-averaged multiconfiguration pair-density functional theory.

Thais R Scott, Matthew R Hermes, Andrew M Sand

|May 17, 2020
NWChem: Past, present, and future.

E Aprà, E J Bylaska, W A de Jong

|Apr 04, 2020
Extended separated-pair approximation for transition metal potential energy curves.

Shuhang J Li, Laura Gagliardi, Donald G Truhlar

|Mar 17, 2019
A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics.

Soumen Ghosh, Jason C Asher, Laura Gagliardi

Pageof 3

Frequent Collaborators

11 joint publications

Donald G Truhlar

4 joint publications

Andrew M Sand

2 joint publications

Thais R Scott

2 joint publications

Wibe A de Jong

2 joint publications

Niranjan Govind

2 joint publications

Meagan S Oakley

2 joint publications

Samuel J Stoneburner

2 joint publications

Soumen Ghosh

2 joint publications

Christopher J Cramer

1 joint publications

K Kowalski

Frequent Collaborators

11 joint publications

Donald G Truhlar

4 joint publications

Andrew M Sand

2 joint publications

Thais R Scott

2 joint publications

Wibe A de Jong

Top Related Videos

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
See more related videos

Top Related Videos

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
See more related videos