Molecular Dynamics

topic on 1 show · 3 statements across 1 episodes

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3 statements about Molecular Dynamics, every show

White: Molecular dynamics and DFT are overrated in materials science
“So, I think molecular dynamics is overrated. And DFT is overrated. In fact, DFT may be even more overrated than like the dynamics.”
Andrew White Jan 28, 2026 ▶ 40:12 🔬 From Red Teaming GPT-4 to Automating Drug Discovery: The Future of AI in Science — Andrew White
White: Molecular dynamics is reviving to generate simulation data
“Molecular dynamics which I think is actually suddenly becoming interesting again, as everyone's looking for ways to generate data from first principle simulation, and molecular dynamics, you know, covers basically everything that's molecules moving around in d…”
Andrew White Jan 28, 2026 ▶ 3:18 🔬 From Red Teaming GPT-4 to Automating Drug Discovery: The Future of AI in Science — Andrew White
LATENT SPACE Assertion Supported
White: DE Shaw Research Hardcoded Molecular Dynamics into Custom Silicon
“They built their own silicon. They built their own clusters. They had them taped out all themselves. They burned into the silicon the algorithms to run MD.”
Andrew White Jan 28, 2026 ▶ 43:39 🔬 From Red Teaming GPT-4 to Automating Drug Discovery: The Future of AI in Science — Andrew White

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