Todd J Martínez

29PUBLICATIONS
90CO-AUTHORS
Programming languagesNumerical solution of differential and integral equationsTheoretical quantum chemistryStatistical mechanics in chemistryLasers and quantum electronics
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Publications (29)

|Dec 02, 2021
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Nov 14, 2021
GPU acceleration of rank-reduced coupled-cluster singles and doubles.

Edward G Hohenstein, Todd J Martínez

|Jul 16, 2021
A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods.

Chenchen Song, Todd J Martínez, Jeffrey B Neaton

|Mar 16, 2021
Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane.

Lea M Ibele, Yorick Lassmann, Todd J Martínez

|Mar 16, 2021
Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs).

Fang Liu, Michael Filatov, Todd J Martínez

|Jan 08, 2021
Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method.

Chenchen Song, Jeffrey B Neaton, Todd J Martínez

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Frequent Collaborators

5 joint publications

Edward G Hohenstein

4 joint publications

Chenchen Song

4 joint publications

Angelos Michaelides

4 joint publications

David E Manolopoulos