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View article: High-throughput <i>ab initio</i> reaction mechanism exploration in the cloud with automated multi-reference validation
High-throughput <i>ab initio</i> reaction mechanism exploration in the cloud with automated multi-reference validation Open
Quantum chemical calculations on atomistic systems have evolved into a standard approach to studying molecular matter. These calculations often involve a significant amount of manual input and expertise, although most of this effort could …
View article: Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment"
Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment" Open
This dataset contains the supporting information for the journal article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". It consists of two files: "structures.json", contain…
View article: Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment"
Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment" Open
This dataset contains the supporting information for the journal article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". It consists of two files: "structures.json", contain…
View article: High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation Open
Quantum chemical calculations on atomistic systems have evolved into a standard approach to study molecular matter. These calculations often involve a significant amount of manual input and expertise although most of this effort could be a…
View article: Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment"
Supporting Information for the Journal Article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment" Open
This dataset contains the supporting information for the journal article "High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference treatment". It consists of two files: "structures.json", contain…
View article: A Cubic Matrix Action for the Standard Model and Beyond
A Cubic Matrix Action for the Standard Model and Beyond Open
We propose a new framework for matrix theories that are equivalent to field theories on a toroidal spacetime. The correspondence is accomplished via infinite Toeplitz matrices whose entries match the field degrees of freedom on an energy-m…
View article: The Autodidactic Universe
The Autodidactic Universe Open
We present an approach to cosmology in which the Universe learns its own physical laws. It does so by exploring a landscape of possible laws, which we express as a certain class of matrix models. We discover maps that put each of these mat…
View article: Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers
Q# and NWChem: Tools for Scalable Quantum Chemistry on Quantum Computers Open
Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure proble…
View article: Elucidating reaction mechanisms on quantum computers
Elucidating reaction mechanisms on quantum computers Open
Significance Our work addresses the question of compelling killer applications for quantum computers. Although quantum chemistry is a strong candidate, the lack of details of how quantum computers can be used for specific applications make…
View article: Designing Adiabatic Quantum Optimization: A Case Study for the Traveling Salesman Problem
Designing Adiabatic Quantum Optimization: A Case Study for the Traveling Salesman Problem Open
With progress in quantum technology more sophisticated quantum annealing devices are becoming available. While they offer new possibilities for solving optimization problems, their true potential is still an open question. As the optimal d…
View article: Hybrid Quantum-Classical Approach to Correlated Materials
Hybrid Quantum-Classical Approach to Correlated Materials Open
Recent improvements in control of quantum systems make it seem feasible to\nfinally build a quantum computer within a decade. While it has been shown that\nsuch a quantum computer can in principle solve certain small electronic\nstructure …
View article: Training a quantum optimizer
Training a quantum optimizer Open
We study a variant of the quantum approximate optimization algorithm [ E.\nFarhi, J. Goldstone, and S. Gutmann, arXiv:1411.4028] with slightly different\nparametrization and different objective: rather than looking for a state which\nappro…
View article: Hybrid Quantum-Classical Approach to Correlated Materials
Hybrid Quantum-Classical Approach to Correlated Materials Open
Recent improvements in control of quantum systems make it seem feasible to finally build a quantum computer within a decade. While it has been shown that such a quantum computer can in principle solve certain small electronic structure pro…
View article: Solving strongly correlated electron models on a quantum computer
Solving strongly correlated electron models on a quantum computer Open
One of the main applications of future quantum computers will be the\nsimulation of quantum models. While the evolution of a quantum state under a\nHamiltonian is straightforward (if sometimes expensive), using quantum\ncomputers to determ…
View article: Progress towards practical quantum variational algorithms
Progress towards practical quantum variational algorithms Open
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be e…
View article: Towards Practical Quantum Variational Algorithms
Towards Practical Quantum Variational Algorithms Open
The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be e…
View article: Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation
Chemical basis of Trotter-Suzuki errors in quantum chemistry simulation Open
Although the simulation of quantum chemistry is one of the most anticipated applications of quantum computing, the scaling of known upper bounds on the complexity of these algorithms is daunting. Prior work has bounded errors due to discre…