Lars L Schaaf

7PUBLICATIONS
121CO-AUTHORS
Biomolecular modelling and designSemi- and unsupervised learningContext learningComputational chemistryTheoretical quantum chemistry
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Publications (7)

|Oct 14, 2026
De novo design of cysteine proteases.

|Oct 14, 2026
Computational design of metalloproteases.

|Oct 13, 2026
Noise-resilient training of machine learning interatomic potentials.

|Dec 15, 2025
Multi-head committees enable direct uncertainty prediction for atomistic foundation models.

Hubert Beck, Pavol Simko, Lars L Schaaf

|Nov 13, 2025
A foundation model for atomistic materials chemistry.

Ilyes Batatia, Philipp Benner, Yuan Chiang

|Jul 16, 2025
Implicit neural representations for chemical reaction paths.

Kalyan Ramakrishnan, Lars L Schaaf, Chen Lin

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Frequent Collaborators

3 joint publications

Christoph Schran

2 joint publications

Hojae Choi

2 joint publications

Brian Coventry

2 joint publications

Samuel J Pellock