• Suche: Building quantum software with Python

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2

MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods
Zhang, Lina ; Pios, Sebastian V. ; Martyka, Mikołaj ; et al.
Journal of Chemical Theory and Computation. 20(12):5043-5057

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3

QOptCraft: A Python package for the design and study of linear optical quantum systems
Aguado, Daniel Gómez ; Gimeno, Vicent ; Moyano-Fernández, Julio José ; et al.
In Computer Physics Communications January 2023 282

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4

QuOCS: The quantum optimal control suite
Rossignolo, Marco ; Reisser, Thomas ; Marshall, Alastair ; et al.
In Computer Physics Communications October 2023 291

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5

Design by Contract Framework for Quantum Software
Yamaguchi, Masaomi ; Yoshioka, Nobukazu

Computer Science - Compu...
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6

PyBEST: Improved functionality and enhanced performance
Boguslawski, Katharina ; Brzęk, Filip ; Chakraborty, Rahul ; et al.
In Computer Physics Communications April 2024 297

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7

VeloxChem Quantum–Classical Interoperability for Modeling of Complex Molecular Systems
de Gracia Triviño, Juan Angel ; Brumboiu, Iulia Emilia ; Carrasco-Busturia, David ; et al.
The Journal of Physical Chemistry A. 129(32):7575-7587

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8

PyR@TE 3
Sartore, Lohan ; Schienbein, Ingo
In Computer Physics Communications April 2021 261

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9

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10

Perceval: A Software Platform for Discrete Variable Photonic Quantum Computing
Heurtel, Nicolas ; Fyrillas, Andreas ; Gliniasty, Grégoire De ; et al.
Quantum. 7:931-931

[PHYS.QPHY]Physics [phys... Quantum Physics [quant-p...
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11

cuQuantum SDK: A High-Performance Library for Accelerating Quantum Science
Bayraktar, Harun ; Charara, Ali ; Clark, David ; et al.

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12

KinBot: Automated stationary point search on potential energy surfaces
Van de Vijver, Ruben ; Zádor, Judit
In Computer Physics Communications March 2020 248

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13

Bug roads: Modeling the green space connectivity and pollinator habitat in a large city using open GIS data and tools.
Lundquist, Matthew J. ; Lovejoy, Pamela C. ; Fay, Brianna G. ; et al.
Ecological Applications. Oct2025, Vol. 35 Issue 7, p1-15. 15p.

Pollinators Parks Sustainable urban develo... Cities & towns Nature conservation Corridors (Ecology) …
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15

OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem
Mironov, Vladimir ; Komarov, Konstantin ; Li, Jingbai ; et al.
Journal of Chemical Theory and Computation. 20(21):9464-9477

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16

TNSP: A framework supporting symmetry and fermion tensors for tensor network state methods
Zhang, Hao ; Dong, Shaojun ; Wang, Chao ; et al.
In Computer Physics Communications December 2024 305

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17

QFlow lite dataset: A machine-learning approach to the charge states in quantum dot experiments
Zwolak, Justyna P. ; Kalantre, Sandesh S. ; Wu, Xingyao ; et al.
PLOS ONE 13(10): e0205844 (2018)

Quantum Physics
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20

Tangelo: An Open-source Python Package for End-to-end Chemistry Workflows on Quantum Computers
Senicourt, Valentin ; Brown, James ; Fleury, Alexandre ; et al.

Quantum Physics
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