7 papers
A sharp rigidity/flexibility threshold for the isotropic Landau equation
Nicholas Gismondi, William Golding, Matthew Novack
We establish a sharp rigidity/flexibility threshold for stationary solutions of the Krieger--Strain equation, an isotropic model of the Landau--Coulomb equation. For every $1< p <…
SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation
Shuan Chen, Gunwook Nam, Alan Aspuru-Guzik +1
The disconnect between AI-generated molecules with desirable properties and their synthetic feasibility remains a critical bottleneck in computational discovery of drugs and materi…
Quantum Algorithm for Vibronic Dynamics: Case Study on Singlet Fission Solar Cell Design
Danial Motlagh, Robert A. Lang, Paarth Jain +5
Vibronic interactions between nuclear motion and electronic states are critical for the accurate modeling of photochemistry. However, accurate simulations of fully quantum non-adia…
The generative quantum eigensolver (GQE) and its application for ground state search
Kouhei Nakaji, Lasse Bjørn Kristensen, Ryota Kemmoku +14
We introduce the generative quantum eigensolver (GQE), a new quantum computational framework that operates outside the variational quantum algorithm paradigm by applying classical…
Learning Zero-Shot Material States Segmentation, by Implanting Natural Image Patterns in Synthetic Data
Sagi Eppel, Jolina Li, Manuel Drehwald +1
Visual recognition of materials and their states is essential for understanding the physical world, from identifying wet regions on surfaces or stains on fabrics to detecting infec…
Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer
Philipp Schleich, Lasse Bjørn Kristensen, Jorge A. Campos Gonzalez Angulo +6
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum…