arXiv:2606. 30551v1 Announce Type: cross Abstract: Calculation of binding energies for protein-ligand molecular systems requires accurate treatment of the electronic structure, a quantum chemistry problem that scales exponentially on classical hardware, while current quantum hardware remains too noisy for the required circuit depths.
By Anurag K. S. V., Ashish Kumar Patra, Manas Mukherjee, Ruchika Bhat, Sai Shankar P., Rahul Maitra, Jaiganesh G
arXiv:2606. 11240v1 Announce Type: cross Abstract: Accurate modeling of quantum many-body systems often requires computationally expensive simulations such as Density Matrix Renormalization Group (DMRG) or Quantum Monte Carlo (QMC) calculations.
By Arpan Biswas, Surtirtha Paul, Joseph Agada, Matthias Thamm, Adrian Del Maestro
arXiv:2607. 18865v1 Announce Type: cross Abstract: Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity.
By Shiwei Zhou, Yiming Huang, Xiao Yuan, Xiaoxia Cai
arXiv:2607. 18865v2 Announce Type: replace-cross Abstract: Neural quantum states offer expressive representations of quantum many-body wave functions, yet their practical accuracy can be limited by stochastic optimization rather than representational capacity.
By Shiwei Zhou, Yiming Huang, Xiao Yuan, Xiaoxia Cai
arXiv:2609.37733v1 Announce Type: cross
Abstract: Second-quantized neural-network quantum states have achieved accurate molecular energies, but extending them across molecular geometries requires a s...
By Lizhong Fu, Jianan Wei, Wenguan Wang, Honghui Shang
arXiv:2609.16527v1 Announce Type: cross
Abstract: Exploring the chemical space of flexible molecules remains challenging because the vast number of possible compounds and conformations, together with...
By Michael Hanna, Julian Cremer, Zekiye Erarslan, Leonardo Medrano Sandonas