Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. 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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127 results at Journal of Chemical Physics

Mechanism by which DHA inhibits the aggregation of KLVFFA peptides: A molecular dynamics study
- - Hong Zhou
  - Shengtang Liu
  - et al.
- 2018
- Journal of Chemical Physics
Propensity of a single-walled carbon nanotube-peptide to mimic a KK10 peptide in an HLA-TCR complex
- - Mei Feng
  - David R. Bell
  - et al.
- 2017
- Journal of Chemical Physics
Rock climbing: A local-global algorithm to compute minimum energy and minimum free energy pathways
- - Clark Templeton
  - Szu-Hua Chen
  - et al.
- 2017
- Journal of Chemical Physics
Double photoionization of tropone and cyclooctatetraene
- - Tim Hartman
  - Ralf Wehlitz
- 2017
- Journal of Chemical Physics
Translational diffusion of proteins in nanochannels
- - Sridhar Kumar Kannam
  - Matthew T. Downton
- 2017
- Journal of Chemical Physics
Potential disruption of protein-protein interactions by graphene oxide
- - Mei Feng
  - Hongsuk Kang
  - et al.
- 2016
- Journal of Chemical Physics
Exploring biological effects of MoS₂ nanosheets on native structures of α-helical peptides
- - Zonglin Gu
  - Weifeng Li
  - et al.
- 2016
- Journal of Chemical Physics
Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation
- - F. Franco De Carvalho
  - Ivano Tavernelli
- 2015
- Journal of Chemical Physics
Simplified TiO₂ force fields for studies of its interaction with biomolecules
- - Binquan Luan
  - Tien Huynh
  - et al.
- 2015
- Journal of Chemical Physics
The ground state and electronic structure of Gd@C₈₂: A systematic theoretical investigation of first principle density functional
- - Xing Dai
  - Yang Gao
  - et al.
- 2014
- Journal of Chemical Physics