Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
- Igor O. Sokolov
- Panagiotis Kl. Barkoutsos
- et al.
- 2020
- Journal of Chemical Physics
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129 results at Journal of Chemical Physics
Different protonated states at the C-terminal of the amyloid- β peptide modulate the stability of S-shaped protofibril
- Xiuhua Yin
- Shengtang Liu
- et al.
- 2019
- Journal of Chemical Physics
Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors
- Fausto Martelli
- 2019
- Journal of Chemical Physics
Exploring the binding mechanism between human profilin (PFN1) and polyproline-10 through binding mode screening
- Leili Zhang
- David R. Bell
- et al.
- 2019
- Journal of Chemical Physics
Fundamental understanding of chemical processes in extreme ultraviolet resist materials
- Oleg Kostko
- Bo Xu
- et al.
- 2018
- Journal of Chemical Physics
Glassy dynamics in mutant huntingtin proteins
- Hongsuk Kang
- Binquan Luan
- et al.
- 2018
- Journal of Chemical Physics
Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions
- 2018
- 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