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Scientific Publications

Find here all the research papers, publications, and preprints by Qubit Pharmaceuticals.

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Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations

Published on 1 May 2025

HMC and Underdamped Langevin United in the Unadjusted Convex Smooth Case

Published on 1 March 2025

Copy of Preprint Template (4)
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Non-iterative disentangled unitary coupled-cluster based on lie-algebraic structure

Published on 21 February 2025

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Quantum Speedup for Nonreversible Markov Chains

Submitted on 10 January 2025

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Velocity Jumps for Molecular Dynamics

Submitted on 19 December 2024

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A simple algorithm to reflect through eigenspaces of unitaries

Submitted on 12 December 2024

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Shortcut to chemically accurate quantum computing via density-based basis-set correction

Published on 18 November 2024 
 
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Artificial Intelligence for Quantum Computing

Submitted on 14 November 2024
 
 
Copy of Preprint Template (1)

Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors

Submitted on 17 October 2024
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The velocity jump Langevin process and its splitting scheme: long time convergence and numerical accuracy

Submitted on 11 October 2024
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Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery

Published on 4 October 2024

Copy of Preprint Template (3)

AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: from the c-Kit Proto-oncogene to HIV-1

Submitted on 29 August 2024

Copy of Preprint Template (5)

Water–glycan interactions drive the SARS-CoV-2 spike dynamics: insights into glycan-gate control and camouflage mechanisms

Published on 23 August 2024

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Polylogarithmic-depth controlled-NOT gates without ancilla qubits

Published on 13 July 2024

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Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation

Published on 28 May 2024

scientific publications hubspot (1)

Sparse Quantum State Preparation for Strongly Correlated Systems

Published on 14 March 2024

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Enforcing Local DNA Kinks by Sequence-Selective Trisintercalating Oligopeptides of a Tricationic Porphyrin: A Polarizable Molecular Dynamics Study

Published on 13 December 2023

NI-DUCC paper

Greedy Gradient-free Adaptive Variational Quantum Algorithms on a Noisy Intermediate Scale Quantum Computer
Submitted on 29 June 2023

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QM/AMOEBA description of properties and dynamics of embedded molecules

Published on 8 June 2023

 

scientific publications hubspot (5)

TREXIO: A file format and library for quantum chemistry

Published on 5 May 2023

 

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Overlap-ADAPT-VQE: Practical Quantum Chemistry on Quantum Computers via Overlap-Guided Compact Ansätze

Published on 24 January 2023