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

Carlos Raúl Lien-Medrano

11PUBLICATIONS
53CO-AUTHORS
Compound semiconductorsComputational chemistryTheoretical quantum chemistryNanoelectronicsStructural properties of condensed matter
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (11)

Sort by Publication Date:
|Jul 13, 2026
Constructing density functional tight-binding parameters for electronic structure modeling of lead-bromide perovskites, perovskitoids, and related structures.

|Jun 06, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.

B Hourahine, M Berdakin, J A Bich

|May 08, 2025
Hybrid Functional DFTB Parametrizations for Modeling Organic Photovoltaic Systems.

Wenbo Sun, Tammo van der Heide, Van-Quan Vuong

|Nov 20, 2024
Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors.

Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee

|Oct 15, 2024
Rationalization of the light-induced electron injection mechanism in a model 1D ZnO nanowire-dye complex: insights from real-time TD-DFTB simulations.

Dalma M Márquez, Carlos R Lien-Medrano, Germán J Soldano

|Apr 18, 2024
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method.

Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee

Pageof 2

Frequent Collaborators

5 joint publications

Cristián G Sánchez

4 joint publications

Bálint Aradi

4 joint publications

Tammo van der Heide

3 joint publications

Franco P Bonafé

3 joint publications

Gonzalo Díaz Mirón

2 joint publications

Ben Hourahine

2 joint publications

Michael A Sentef

2 joint publications

Carlos-Andres Palma

2 joint publications

Van-Quan Vuong

2 joint publications

Thomas A Niehaus

Frequent Collaborators

5 joint publications

Cristián G Sánchez

4 joint publications

Bálint Aradi

4 joint publications

Tammo van der Heide

3 joint publications

Franco P Bonafé