Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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Year

19 results at Physical Chemistry Chemical Physics

A re-evaluation of diffraction from Si(111) 7 × 7: decoding the encoded phase information in the 7 × 7 diffraction pattern
- - J. E. Demuth
- 2021
- Physical Chemistry Chemical Physics
Quantum equilibration of the double-proton transfer in a model system porphine
- - Guillermo Albareda
  - Arnau Riera
  - et al.
- 2020
- Physical Chemistry Chemical Physics
Hydrogen bonding and molecular orientation at the liquid-vapour interface of water
- - Flaviu Cipcigan
  - V. P. Sokhan
  - et al.
- 2015
- Physical Chemistry Chemical Physics
Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease
- - Tien Huynh
  - Haoran Wang
  - et al.
- 2020
- Physical Chemistry Chemical Physics
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: Improved accuracy with a smaller footprint on the quantum computer
- - Mario Motta
  - Tanvi P. Gujarati
  - et al.
- 2020
- Physical Chemistry Chemical Physics
Optical absorption properties of metal-organic frameworks: Solid state: Versus molecular perspective
- - Maria Fumanal
  - Clémence Corminboeuf
  - et al.
- 2020
- Physical Chemistry Chemical Physics
Powerful, transferable representations for molecules through intelligent task selection in deep multitask networks
- - Clyde Fare
  - Lukas Turcani
  - et al.
- 2020
- Physical Chemistry Chemical Physics
Correlation effects in parallel tempering and the role of the swapping frequency
- - Ivano Tavernelli
- 2020
- Physical Chemistry Chemical Physics
Exploration of HIV-1 fusion peptide-antibody VRC34.01 binding reveals fundamental neutralization sites
- - Mei Feng
  - David R. Bell
  - et al.
- 2019
- Physical Chemistry Chemical Physics
Metal-organic framework as an efficient filter for the removal of heavy metal cations in water
- - Zonglin Gu
  - Wei Song
  - et al.
- 2018
- Physical Chemistry Chemical Physics