Javier E Alfonso-Ramos

4PUBLICATIONS
11CO-AUTHORS
Catalysis and mechanisms of reactionsStatistical mechanics in chemistryTheoretical quantum chemistryComputational chemistry
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Publications (4)

|Sep 11, 2025
CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation.

Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond

|Feb 02, 2025
Improving the Reliability of, and Confidence in, DFT Functional Benchmarking through Active Learning.

Javier E Alfonso-Ramos, Carlo Adamo, Éric Brémond

|Jun 03, 2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties.

Luis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik

|Aug 01, 2023
Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery.

Nicholas Casetti, Javier E Alfonso-Ramos, Connor W Coley

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Frequent Collaborators

3 joint publications

Thijs Stuyver

2 joint publications

Carlo Adamo

2 joint publications

Éric Brémond

1 joint publications

Connor W Coley