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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Popular topics

Year

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
- - Stefan Seritan
  - Christoph Bannwarth
  - et al.
- 2020
- The Journal of Chemical Physics
Structural Basis of the Potential Binding Mechanism of Remdesivir to SARS-CoV-2 RNA-Dependent RNA Polymerase
- - Leili Zhang
  - Ruhong Zhou
- 2020
- Journal of Physical Chemistry B
Computational Model Reveals a Stochastic Mechanism behind Germinal Center Clonal Bursts
- - Aurélien Pélissier
  - Youcef Akrout
  - et al.
- 2020
- Cells
The Human Behaviour-Change Project: An artificial intelligence system to answer questions about changing behaviour
- - Susan Michie
  - James Thomas
  - et al.
- 2020
- Wellcome Open Research
Shake It or Shrink It: Mass Transport and Kinetics in Surface Bioassays Using Agitation and Microfluidics
- - Iago Pereiro
  - Anna Fomitcheva Khartchenko
  - et al.
- 2020
- Analytical Chemistry
Artificial intelligence in chemistry and drug design
- - Nathan Brown
  - Peter Ertl
  - et al.
- 2020
- J. Comput. Aided Mol. Des.
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
- - Kousuke Nakano
  - Claudio Attaccalite
  - et al.
- 2020
- Journal of Chemical Physics
Deep learning shows the capability of high-level computer-aided diagnosis in malignant lymphoma
- - Hiroaki Miyoshi
  - Kensaku Sato
  - et al.
- 2020
- Laboratory Investigation
CP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- - Thomas D. Kühne
  - Marcella Iannuzzi
  - et al.
- 2020
- Journal of Chemical Physics
Special issue forward: the 2018 Mixed Integer Programming workshop
- - Daniel Bienstock
  - Giacomo Nannicini
- 2020
- Mathematical Programming Computation