Kavli Affiliate: Birgitta Whaley | First 5 Authors: Oskar Leimkuhler, K. Birgitta Whaley, , , | Summary: We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases, enabling the characterization of chemical ground states that are not subject to the constraint […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Oskar Leimkuhler, K. Birgitta Whaley, , , | Summary: We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases, enabling the characterization of chemical ground states that are not subject to the constraint […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Oskar Leimkuhler, K. Birgitta Whaley, , , | Summary: We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases, enabling the characterization of chemical ground states that are not subject to the constraint […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Oskar Leimkuhler, K. Birgitta Whaley, , , | Summary: Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms except in cases of weak electron correlation or one-dimensional spatial geometry. We introduce a hybrid quantum-classical eigenvalue solver […]
Kavli Affiliate: Michael Wimmer | First 5 Authors: Diana Marin, Filippo Maggioli, Simone Melzi, Stefan Ohrhallinger, Michael Wimmer | Summary: Reconstructing 2D curves from sample points has long been a critical challenge in computer graphics, finding essential applications in vector graphics. The design and editing of curves on surfaces has only recently begun to receive […]
Kavli Affiliate: Michael Wimmer | First 5 Authors: Diana Marin, Filippo Maggioli, Simone Melzi, Stefan Ohrhallinger, Michael Wimmer | Summary: Reconstructing 2D curves from sample points has long been a critical challenge in computer graphics, finding essential applications in vector graphics. The design and editing of curves on surfaces has only recently begun to receive […]
Kavli Affiliate: Michael Wimmer | First 5 Authors: Diana Marin, Filippo Maggioli, Simone Melzi, Stefan Ohrhallinger, Michael Wimmer | Summary: Reconstructing 2D curves from sample points has long been a critical challenge in computer graphics, finding essential applications in vector graphics. The design and editing of curves on surfaces has only recently begun to receive […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Avijit Shee, Fabian M. Faulstich, Birgitta Whaley, Lin Lin, Martin Head-Gordon | Summary: We develop a static quantum embedding scheme, utilizing projection equations to solve coupled cluster (CC) amplitudes. To reduce the computational cost (for example, of a large basis set calculation), we solve the local fragment […]
Kavli Affiliate: Birgitta Whaley | First 5 Authors: Avijit Shee, Fabian M. Faulstich, Birgitta Whaley, Lin Lin, Martin Head-Gordon | Summary: We develop a static quantum embedding scheme that utilizes different levels of approximations to coupled cluster (CC) theory for an active fragment region and its environment. To reduce the computational cost, we solve the […]
Kavli Affiliate: Xiang Zhang | First 5 Authors: Xiang Zhang, Khatoon Khedri, Reza Rawassizadeh, , | Summary: Large Language Models (LLMs) can automate or substitute different types of tasks in the software engineering process. This study evaluates the resource utilization and accuracy of LLM in interpreting and executing natural language queries against traditional SQL within […]