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Accurate quantum-centric simulations of intermolecular interactions
Danil Kaliakin
, Akhil Shajan
, Fangchun Liang
, Javier Robledo Moreno
, Zhen Li
, Abhishek Mitra
, Mario Motta
, Caleb Johnson
, Abdullah Ash Saki
, Susanta Das
, Iskandar Sitdikov
, Antonio Mezzacapo
, Kenneth M. Merz
Cleveland Clinic Foundation
Michigan State University
IBM
Research output
:
Contribution to journal
›
Article
›
peer-review
1
Scopus citations
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Keyphrases
Binding Energy Calculations
25%
Chemical Accuracy
25%
Computational Cost
25%
Diagonalization
25%
Dispersion Interaction
50%
Electronic Structure Calculations
25%
Hydrogen Bonding Interaction
25%
Hydrogen Dispersion
25%
Intermolecular Interactions
100%
Methane
25%
Noncovalent Interactions
100%
Potential Energy Surface
25%
Predictive Methods
25%
Quantum Computing
25%
Quantum Hardware
50%
Quantum Mechanical
25%
Quantum Method
25%
Quantum Simulation
25%
Qubit
50%
Sampling Methods
25%
Supramolecular Strategy
25%
Take-the-first
25%
Weak System
25%
Chemistry
Binding Energy
25%
dimer
25%
Electronic State
25%
Hydrogen Bonding
25%
Intermolecular Force
100%
Methane
25%
Non-Covalent Interactions
100%
Potential Energy Surface
25%
Quantum Dot
50%