Aniruddha Seal

8PUBLICATIONS
161CO-AUTHORS
Formal methods for softwareTheoretical quantum chemistryApplications in life sciencesComputational chemistrySemi- and unsupervised learning
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Publications (8)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Jul 08, 2026
Ultrafast excited-state proton transfer dynamics using linearized pair-density functional theory.

|Apr 03, 2026
Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems.

Jacob J Wardzala, Matthew R Hennefarth, Valay Agarawal

|Oct 27, 2025
Computing Reaction Kinetics with MC-PDFT-OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling.

Aniruddha Seal, Laura Gagliardi, Andrew L Ferguson

|Mar 04, 2025
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Dec 23, 2024
A modular and extensible CHARMM-compatible model for all-atom simulation of polypeptoids.

Alex Berlaga, Kaylyn Torkelson, Aniruddha Seal

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Frequent Collaborators

4 joint publications

Laura Gagliardi

3 joint publications

Andrew L Ferguson

2 joint publications

Helen S Clifford

2 joint publications

Matthew R Hermes