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Force-free molecular dynamics for fast and accurate long-timescale simulationsFabian ThiemannThiago Reschutzeggeret al.2025ACS Fall 2025Talk
AI-driven prediction of monoclonal antibody binding and activity against influenza A virusMichal Ozery-FlatoElla Barkanet al.2025ACS Fall 2025Talk
A Discrete Diffusion Model for de novo Molecular Generation with Continuous Property GuidancePartha SuryanarayananShreyans Sethiet al.2025ACS Fall 2025Talk
From Spectra to Structure: AI-Powered 31P-NMR InterpretationMarvin AlbertsNina Hartrampfet al.2025ACS Fall 2025Talk
Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 captureRodrigo Neumann Barros FerreiraYogesh Joshiet al.2025ACS Fall 2025Talk
Improved sample-based quantum diagonalization via randomized Hamiltonian simulationMax RossmannekSamuele Piccinelli2025ACS Fall 2025Talk
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