Publications

14336 results for Physical Sciences

MDLab: AI frameworks for Carbon Capture and Battery Materials
- - Bruce Elmegreen
  - Hendrik Hamann
  - et al.
- 2025
- Frontiers in Environmental Science
From Spectra to Structure: AI-Powered 31P-NMR Interpretation
- - Marvin Alberts
  - Nina Hartrampf
  - et al.
- 2025
- ACS Fall 2025
Learn more about our Physical Sciences work
How Defects Freeze Ripples in 2D Materials
- - Fabian Thiemann
  - Camille Scalliet
  - et al.
- 2025
- ACS Fall 2025
Improved sample-based quantum diagonalization via randomized Hamiltonian simulation
- - Max Rossmannek
  - Samuele Piccinelli
- 2025
- ACS Fall 2025
Vibrational analysis of gas adsorption in metal-organic frameworks
- - Pamela Costa Carvalho
  - Matheus Esteves Ferreira
  - et al.
- 2025
- ACS Fall 2025
Molecular diffusion enhanced performance evaluation of metal-organic frameworks for CO2 capture
- - Rodrigo Neumann Barros Ferreira
  - Yogesh Joshi
  - et al.
- 2025
- ACS Fall 2025
Force-free molecular dynamics for fast and accurate long-timescale simulations
- - Fabian Thiemann
  - Thiago Reschutzegger
  - et al.
- 2025
- ACS Fall 2025
A sample-based quantum diagonalization framework for periodic solids
- - Alan Duriez
  - Pamela Costa Carvalho
  - et al.
- 2025
- QSim 2025
Mode-selective Raman imaging of metal-organic frameworks reveals surface heterogeneities of single HKUST-1 crystals
- - Matheus Esteves Ferreira
  - Mariana Del Grande
  - et al.
- 2025
- ACS Omega
AtlasD: Automatic Local Symmetry Discovery
- - Manu Bhat
  - Jonghyun Park
  - et al.
- 2025
- ICML 2025