Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Publications
14328 results for Physical Sciences
Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- Seung Gu Kang
- Shaima Muhammednazaar
- et al.
- 2023
- ACS Fall 2023
Understanding and improving zeroth-order optimization methods on AI-driven molecule optimization
- Elvin Lo
- Pin-Yu Chen
- 2023
- Digital Discovery
Standardizing chemical compounds with language models
- Miruna T Cretu
- Alessandra Toniato
- et al.
- 2023
- Machine Learning: Science and Tech.
Demonstration of the Nonlocal Josephson Effect in Andreev Molecules
- Daniel Z. Haxell
- Marco Coraiola
- et al.
- 2023
- Nano Letters
Evaluating the roughness of structure-property relationships using pretrained molecular representations
- David E. Graff
- Edward O. Pyzer-Knapp
- et al.
- 2023
- Digital Discovery
Braiding fractional quantum Hall quasiholes on a superconducting quantum processor
- Ammar Kirmani
- Derek S. Wang
- et al.
- 2023
- Physical Review B
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach
- Arseny Kovyrshin
- Mårten Skogh
- et al.
- 2023
- Journal of Physical Chemistry Letters
Superconducting VLSI Logic Cell Library Using DC-Powered Clockless Dynamic SFQ Gates and ASIC-Style Layout Template
- Sergey Rylov
- Matthew Beck
- et al.
- 2023
- IEEE TAS
Polymeric Giant Unilamellar Vesicles with Integrated DNA-Origami Nanopores: An Efficient Platform for Tuning Bioreaction Dynamics Through Controlled Molecular Diffusion
- Rémy Cochereau
- Viviana Maffeis
- et al.
- 2023
- Advanced Functional Materials