Sijia S Dong

19PUBLICATIONS
157CO-AUTHORS
Formal methods for softwareReaction kinetics and dynamicsProcess control and simulationCatalysis and mechanisms of reactionsBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (19)

|Jul 27, 2026
Automated Active Space Selection with CASCI Dipole Moments.

|Jan 20, 2026
Ultrafast Population and Structural Dynamics of a Ni-Bipyridine Photoredox Catalyst Reveal a Significant Deactivation Pathway.

Sumana L Raj, Felipe Curtolo, Kacie J Nelson

|Jan 13, 2026
Modeling the Impact of Protein Mutations on Chemical Reactions for Biochemistry, Protein Engineering, and Drug Discovery.

Zhongyue John Yang, Sijia S Dong

|Oct 30, 2025
Molecular Origins of Simultaneous Chemo-, Enantio-, and Substrate Selectivity in Non-Natural Photoenzymatic Radical Reactions.

Felipe Curtolo, Sijia S Dong

|Sep 16, 2025
Modeling Molecularly Imprinted Nanoparticles with LNKD: A Resource Efficient Algorithm for Polymer Cross-Linking.

Emma Stevens, Felipe Curtolo, Bradford Derby

|Aug 14, 2025
Plasmon-induced resonant energy transfer and flat band formation in Fe and Co doped Ni(II) hydroxide for efficient photocatalytic oxygen evolution.

Benjamin W Kaufold, Parisa Nematollahi, Bernardo Barbiellini

Pageof 4

Frequent Collaborators

6 joint publications

Laura Gagliardi

6 joint publications

Donald G Truhlar

3 joint publications

Jie J Bao

3 joint publications

Ke Zhang