Todd Martínez

112PUBLICATIONS
251CO-AUTHORS
Computational chemistryTerahertz physicsNonlinear optics and spectroscopyTheoretical quantum chemistryComputational complexity and computability
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Publications (112)

|Jul 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanone.

|Jul 01, 2026
First-Principles Analysis of Protonation-Induced Electronic Effects in Tetrakis(p-aminophenyl)porphyrin (TAPP).

|Jun 25, 2026
Probing the Ultrafast Photodynamics of Dihydroazulene with In Silico Time-Resolved Photoelectron Spectroscopy and Ultrafast Electron Diffraction.

|Mar 19, 2026
Complete Active Space Self-Consistent Field with GPU-Accelerated Density Fitting.

Ruiyan Wang, Yuanheng Wang, Lixin Lu

|Mar 05, 2026
Shadow excited state molecular dynamics with the ΔSCF method.

O Jonathan Fajen, Oscar Grånäs, Todd J Martínez

|Feb 26, 2026
Accelerating CCSD(T) on Graphical Processing Units (GPUs).

O Jonathan Fajen, Joseph E Kelly, Edward G Hohenstein

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Frequent Collaborators

10 joint publications

Thomas J A Wolf

10 joint publications

Edward G Hohenstein

10 joint publications

Jan Meisner

9 joint publications

Stefan Seritan