Accurate reporting of energy and carbon usage is essential for understanding the potential climate impacts machine learning research. We introduce a framework that makes this easier by providing simple interface tracking realtime consumption emissions, as well generating standardized online appendices. Utilizing framework, we create leaderboard efficient reinforcement algorithms to incentivize responsible research in area an example other areas learning. Finally, based on case studies using...

We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperatures, by means quantum Monte Carlo simulations. Our results provide evidence liquid-like behavior partial isotopic separation in a cluster 640 molecules, temperature T = 10 K. As the is lowered below ∼6 K, crystallization occurs, with no indication that liquid phase more resilient temperatures cluster. Isotopic therefore predicted to take place only through slow process molecular self-diffusion crystalline matrix.

We present an inelastic neutron scattering study of liquid and solid hydrogen carried out using the wide Angular Range Chopper Spectrometer at Oak Ridge National Laboratory. From observed dynamic structure factor, we obtained empirical estimates molecular mean-squared displacement average translational kinetic energy. find that former quantity increases with temperature, indicating a combination thermal quantum effects is important near liquid-solid phase transition, contrary to previous...

Abstract Theoretical schemes for the implementation of Grover search algorithm are proposed based on ultracold polar molecules in an electric field. The molecular qubits and qudit chosen as field‐dressed states formed by rotational modes CH 3 CN. With help multi‐target optimal control theory, microwave pulses elementary logic operations including one‐qubit Hadamard gates conditional phase a dipole‐dipole system designed factorized demonstrated using two coupled CN molecules. To reduce...

We propose a scheme for achieving basic quantum gates using ultracold polar molecules in pendular states. The qubits are encoded the YbF trapped an electric field with certain gradient and coupled by dipole–dipole interaction. time-dependent control sequences consisting of multiple pulses considered to interact qubits. To achieve high-fidelity gates, we map problem molecular system into Markov decision process deal it techniques deep reinforcement learning (DRL). By training agents over...

Implementation of quantum gates are important for computations in physical system made polar molecules. We investigate the feasibility implementing based on pendular states molecular by two different optical control methods. Firstly, Multi-Target optimal theory and Multi-Constraint described optimizing fields accomplish optimization gates. Numerical results show that controlled NOT gate (CNOT) can be realized under above methods with high fidelities (0.975 0.999) respectively. In addition,...

Equilibrium physical properties of the solid and liquid phases parahydrogen, computed by first principle computer simulations, are compared for different choices pair-wise, spherically symmetric intermolecular potentials. The most recent ab initio potential [Patkowski et al., J. Chem. Phys., 2008, 129, 094304], which has a stiffer repulsive core than commonly used Silvera-Goldman, yields results structural quantities in better agreement with experimental measurements, while possibly...

Quantum algorithms can afford greater computational efficiency compared to their classical counterparts when addressing specific computing tasks. We describe here the implementation, using a polar molecule in an external electric field, of single-qudit cyclic permutation identification algorithm proposed by Gedik et al. [ Sci. Rep. 5 , 14671 ( 2015 ). 10.1038/srep10995 ]. A molecular ququart is realized through field-dressed states generated as pendular modes BaI. By employing multi-target...

We investigate mixed (50/50) clusters of parahydrogen and orthodeuterium at low temperature, by means Quantum Monte Carlo simulations. Our results provide evidence liquid-like behavior partial isotopic separation in a cluster 640 molecules, temperature T=10 K. As the is lowered below ~6 K, crystallization occurs, with no indication that liquid phase more resilient cluster. Isotopic therefore predicted to take place only through slow process molecular self-diffusion crystalline matrix.

Abstract We carry out a theoretical investigation of the low-temperature phase diagram muonium hydride in two dimensions, using numerical simulations. It is shown that this substance qualitatively different and three dimensions. Specifically, while dimensions it essentially identical to parahydrogen, i.e., only displaying single (crystalline) phase. In very similar 4 He, with an equilibrium liquid turns superfluid at temperature as high ∼2.2 K, crystallizes under applied pressure. This...

Entropic uncertainty relation (EUR) can be improved by entangling the measured particle with a quantum memory. In this study, we consider qutrit-qubit system consisting of two coupled molecular dipoles in an electric field, and investigate temporal evolutions quantum-memory-assisted EUR negativity (characterizing entanglement) under intrinsic decoherence parity-time (PT) symmetric operation. It is found that decrease entanglement result increase entropic for incompatible observables....

The low-temperature properties of one and two layers parahydrogen adsorbed on graphite are investigated theoretically through Quantum Monte Carlo simulations. We adopt a microscopic model that explicitly includes the corrugation substrate. study phase diagram monolayer up to second layer promotion, possible occurrence superfluidity in layer. obtain results down temperature as low 8 mK. find second-layer promotion occur at considerably greater coverage than obtained previous calculations...

The low-temperature properties of one and two layers parahydrogen adsorbed on graphite are investigated theoretically through Quantum Monte Carlo simulations. We adopt a microscopic model that explicitly includes the corrugation substrate. study phase diagram monolayer up to second layer promotion, possible occurrence superfluidity in layer. obtain results down temperature as low 8 mK. find second-layer promotion occur at considerably greater coverage than obtained previous calculations...

Abstract Quantum algorithms offer more enhanced computational efficiency in comparison to their classical counterparts when solving specific tasks. In this study, we implement the quantum permutation algorithm utilizing a polar molecule within an external electric field. The selection of molecular qutrit involves utilization field-dressed states generated through pendular modes SrO. Through application multi-target optimal control theory, strategically design microwave pulses execute logical...

In order to precisely locate the position of zero optical path difference (ZOPD) between measuring light beam and reference in Vertical Scanning White-light Interferometer then realize accurate surface measurement, Particle Swarm Optimization (PSO) was used process interferometry data captured by a CCD camera. The envelope line series intensities every pixel supposed be approximated Gaussian curve first. Then its parameters were optimized find best as well ZOPD PSO with an objective function...

We carry out a theoretical investigation of the low-temperature phase diagram muonium hydride in two dimensions, using numerical simulations. It is shown that this substance qualitatively different and three dimensions. Specifically, while dimensions it has been to be essentially identical parahydrogen, i.e., only displaying single (crystalline) phase, very similar He-4, with an equilibrium liquid turns superfluid at temperature as high ~ 2.2 K, crystallizes under applied pressure. To our...

In this paper, based on spin-1/2 system, the optimal simulation of three Pauli logic operators is carried out by using quantum control theory. Under z spin-presentation, results show that achieve expected target state with high fidelity. When pulse applied x-axis, number iterations required to optimize x operator least, and ones most. addition, comparison shows when fidelity reach 0.9999, population final can ideal theoretical expectation. Besides, optimization Hadamard gate also reaches...

Abstract Quantum control is an important basis for quantum computing, com-munication and simulation. The key of to realize logicoperators with high fidelity. In this paper, based on spin-1/2 system, the optimal simulationof three Pauli logic operators carried out by using theory. Under z spin-presentation, results show that under given initial state, achieve expected target state a fidelity 0.9999. When pulse applied x-axis, number iterations required optimize x operator least, requiredto...

Abstract It is a promising research for optimization of quantum gate in the field computation. We investigate feasibility implementing single-qubit (Hadamard) molecular rotational system. By applying Multi-constraint optimal control method, excepted final states can be achieved based on both resonant and non-resonant cases with pulses. The permanent electric dipole moment ignored non-resonance. Besides, zero-pulse area constraint constant fluence are employed to optimize shapes Finally, we...