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arXiv 2022年

作者： Everett, D. Oliinychenko, D. Luzum, M. Paquet, J.-F. Vujanovic, G. Bass, S.A. Du, L. Gale, C. Heffernan, M. Heinz, U. Kasper, L. Ke, W. Liyanage, D. Majumder, A. Mankolli, A. Shen, C. Soeder, D. Velkovska, J. Angerami, A. Arora, R. Cao, S. Chen, Y. Dai, T. Ehlers, R. Elfner, H. Fan, W. Fries, R.J. Garza, F. He, Y. Jacak, B.V. Jacobs, P.M. Jeon, S. Kelsey, M. Kordell, M. Kumar, A. Latessa, J. Lee, Y.-J. Lopez, A. Mak, S. Martin, C. Mehryar, H. Mengel, T. Mulligan, J. Nattrass, C. Putschke, J.H. Roland, G. Schenke, B. Schwiebert, L. Silva, A. Sirimanna, C. Soltz, R.A. Staudenmaier, J. Strickland, M. Tachibana, Y. Wang, X.-N. Wolpert, R.L. Department of Physics The Ohio State University ColumbusOH43210 United States Institute for Nuclear Theory Department of Physics University of Washington SeattleWA98195 United States Nuclear Science Division Lawrence Berkeley National Laboratory BerkeleyCA94270 United States Instituto de Fìsica Universidade de São Paulo C.P. 66318 SP São Paulo05315-970 Brazil Department of Physics Duke University DurhamNC27708 United States Department of Physics and Astronomy Wayne State University DetroitMI48201 United States Department of Physics McGill University MontréalQCH3A2T8 Canada Department of Physics and Astronomy Vanderbilt University NashvilleTN37235 United States Los Alamos National Laboratory Theoretical Division Los AlamosNM87545 United States Department of Physics University of California BerkeleyCA94270 United States RIKEN BNL Research Center Brookhaven National Laboratory UptonNY11973 United States Lawrence Livermore National Laboratory LivermoreCA94550 United States Research Computing Group University Technology Solutions The University of Texas at San Antonio San AntonioTX78249 United States Institute of Frontier and Interdisciplinary Science Shandong University Shandong Qingdao266237 China Laboratory for Nuclear Science Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics and Astronomy University of Tennessee KnoxvilleTN37996 United States Physics Division Oak Ridge National Laboratory Oak RidgeTN37830 United States GSI Helmholtzzentrum für Schwerionenforschung Darmstadt64291 Germany Institute for Theoretical Physics Goethe University Frankfurt am Main60438 Germany Frankfurt Institute for Advanced Studies Frankfurt am Main60438 Germany Cyclotron Institute Texas A&M University College StationTX77843 United States Department of Physics and Astronomy Texas A&M University Colleg

We use a Bayesian-calibrated multistage viscous hydrodynamic model to explore deuteron yield, mean transverse momentum and flow observables in LHC Pb-Pb collisions. We explore theoretical uncertainty in the production of deuterons, including (i) the contribution of thermal deuterons, (ii) models for the subsequent formation of deuterons (hadronic transport vs coalescence) and (iii) the overall sensitivity of the results to the hydrodynamic model - in particular to bulk viscosity, which is often neglected in studies of deuteron production. Using physical parameters set by a comparison to only light hadron observables, we find good agreement with measurements of the mean transverse momentum hpTi and elliptic flow v2 of deuterons;however, tension is observed with experimental data for the deuteron multiplicity in central collisions. The results are found to be sensitive to each of the mentioned theoretical uncertainties, with a particular sensitivity to bulk viscosity, indicating that the latter is an important ingredient for an accurate treatment of deuteron production. Copyright © 2022, The Authors. All rights reserved.

关键词： Deuterium

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Emergence of kinematic space from quantum modular geometric tensor

arXiv

引用

arXiv 2021年

作者： Huang, Xing Ma, Chen-Te Institute of Modern Physics Northwest University Xi’an710069 China NSFC-SPTP Peng Huanwu Center for Fundamental Theory Xi’an710127 China Shaanxi Key Laboratory for Theoretical Physics Frontiers Xi’an710069 China Asia Pacific Center for Theoretical Physics Pohang University of Science and Technology Gyeongsangbuk-do Pohang37673 Korea Republic of Guangdong Provincial Key Laboratory of Nuclear Science Institute of Quantum Matter South China Normal University Guangdong Guangzhou510006 China School of Physics and Telecommunication Engineering South China Normal University Guangdong Guangzhou510006 China Guangdong-Hong Kong Joint Laboratory of Quantum Matter Southern Nuclear Science Computing Center South China Normal University Guangdong Guangzhou510006 China The Laboratory for Quantum Gravity and Strings Department of Mathematics and Applied Mathematics University of Cape Town Private Bag Rondebosch7700 South Africa

We generalize the Quantum Geometric Tensor by replacing a Hamiltonian with a modular Hamiltonian. The symmetric part of the Quantum Geometric Tensor provides a Fubini-Study metric, and its anti-symmetric sector gives a Berry curvature. Now the generalization or Quantum Modular Geometric Tensor gives a Kinematic Space and a modular Berry curvature. Here we demonstrate the emergence by focusing on a spherical entangling surface. We also use the result of the identity Virasoro block to relate the connected correlator of two Wilson lines to the two-point function of a modular Hamiltonian. This result realizes a novel holographic entanglement formula for two intervals of a general separation. This formula does not only hold for a classical gravity sector but also Quantum Gravity. The formula also provides a new Quantum Information interpretation to the connected correlators of Wilson lines as the mutual information. Our study provides an opportunity to explore Quantum Kinematic Space through Quantum Modular Geometric Tensor and hence go beyond symmetry. Copyright © 2021, The Authors. All rights reserved.

关键词： Tensors

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Verification of phased Dicke states

arXiv

引用

arXiv 2020年

作者： Li, Zihao Han, Yun-Guang Sun, Hao-Feng Shang, Jiangwei Zhu, Huangjun State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai200433 China Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement of Ministry of Education School of Physics Beijing Institute of Technology Beijing100081 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China

Dicke states are typical examples of quantum states with genuine multipartite entanglement. They are valuable resources in many quantum information processing tasks, including multiparty quantum communication and quantum metrology. Phased Dicke states are a generalization of Dicke states and include antisymmetric basis states as a special example. These states are useful in atomic and molecular physics besides quantum information processing. Here we propose practical and efficient protocols based on adaptive local projective measurements for verifying all phased Dicke states, including W states and qudit Dicke states. To verify any n-partite phased Dicke state within infidelity ∊ and significance level δ, the number of tests required is only O(n∊−1 ln δ−1), which is linear in n and is exponentially more efficient than traditional tomographic approaches. In the case of W states, the number of tests can be further reduced to O(√n∊−1 ln δ−1). Moreover, we construct an optimal protocol for any antisymmetric basis state;the number of tests required decreases (rather than increases) monotonically with n. This is the only optimal protocol known for multipartite nonstabilizer states. Copyright © 2020, The Authors. All rights reserved.

关键词： Quantum communication

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Testing a quantum error-correcting code on various platforms

arXiv

引用

arXiv 2020年

作者： Guo, Qihao Zhao, Yuan-Yuan Grassl, Markus Nie, Xinfang Xiang, Guo-Yong Xin, Tao Yin, Zhang-Qi Zeng, Bei Institute for Quantum Computing Baidu Research Beijing100193 China Department of Applied Physics Xian Jiaotong University Xian Shaanxi710049 China Center for Quantum Computing Peng Cheng Laboratory Shenzhen518055 China CAS Key Laboratory of Quantum Information University of Science and Technology of China Hefei230026 China Max Planck Institute for the Science of Light Erlangen91058 Germany International Centre for Theory of Quantum Technologies Gdansk80-308 Poland Shenzhen Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China Center for Quantum Technology Research School of Physics Beijing Institute of Technology Beijing100081 China Department of Physics Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong Department of Mathematics & Statistics University of Guelph GuelphONN1G 2W1 Canada Institute for Quantum Computing University of Waterloo WaterlooONN2L 3G1 Canada

Quantum error correction plays an important role in fault-tolerant quantum information processing. It is usually difficult to experimentally realize quantum error correction, as it requires multiple qubits and quantum gates with high fidelity. Here we propose a simple quantum error-correcting code for the detected amplitude damping channel. The code requires only two qubits. We implement the encoding, the channel, and the recovery on an optical platform, the IBM Q System, and a nuclear magnetic resonance system. For all of these systems, the error correction advantage appears when the damping rate exceeds some threshold. We compare the features of these quantum information processing systems used and demonstrate the advantage of quantum error correction on current quantum computing platforms. Copyright © 2020, The Authors. All rights reserved.

关键词： Error correction

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Extended Coulomb liquid of paired hardcore boson model on a pyrochlore lattice

引用

Physical Review Research 2020年第4期2卷 042022(R)-042022(R)页

作者： Chun-Jiong Huang Changle Liu Ziyang Meng Yue Yu Youjin Deng Gang Chen Department of Physics and HKU-UCAS Joint Institute for Theoretical and Computational Physics at Hong Kong University of Hong Kong Hong Kong China Shanghai Branch National Laboratory for Physical Sciences at Microscale and Department of Modern Physics University of Science and Technology of China Shanghai 201315 China CAS Center for Excellence and Synergetic Innovation Center in Quantum Information and Quantum Physics University of Science and Technology of China Hefei Anhui 230026 China CAS-Alibaba Quantum Computing Laboratory Shanghai 201315 China State Key Laboratory of Surface Physics and Department of Physics Fudan University Shanghai 200433 China Center for Field Theory and Particle Physics Fudan University Shanghai 200433 China Beijing National Laboratory for Condensed Matter Physics and Institute of Physics CAS Beijing 100190 China Collaborative Innovation Center of Advanced Microstructures Nanjing University Nanjing 210093 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 China

There is growing interest in the U(1) Coulomb liquid in both quantum materials in pyrochlore ice and cluster Mott insulators and cold-atom systems. We explore a paired hardcore boson model on a pyrochlore lattice. This model is equivalent to the XYZ spin model that was proposed for rare-earth-metal pyrochlores with “dipole-octupole” doublets. Since our model has no sign problem for quantum Monte Carlo (QMC) simulations in a large parameter regime, we carry out both analytical and QMC calculations. We find that the U(1) Coulomb liquid is quite stable and spans a rather large portion of the phase diagram with boson pairing. Moreover, we numerically find a thermodynamic evidence that the boson pairing could induce a possible Z2 liquid in the vicinity of the phase boundary between Coulomb liquid and Z2 symmetry-broken phase. Besides the materials' relevance with quantum spin ice, we point to quantum simulation with cold atoms on optical lattices.

关键词： Hard-core bosons Interatomic & molecular potentials Quantum simulation Spin liquid Spin texture Gauge bosons Pyrochlores Spin ice Gauge symmetries Gauge theory techniques Nonperturbative methods Path-integral Monte Carlo Quantum Monte Carlo

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Quantum algorithm for Petz recovery channels and pretty good measurements

arXiv

引用

arXiv 2020年

作者： Gilyén, András Lloyd, Seth Marvian, Iman Quek, Yihui Wilde, Mark M. Institute for Quantum Information and Matter California Institute of Technology PasadenaCA91125 United States Simons Institute for the Theory of Computing BerkeleyCA94720 United States Department of Mechanical Engineering Research Laboratory of Electronics Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics Department of Electrical and Computer Engineering Duke University DurhamNC27708 United States Information Systems Laboratory Stanford University StanfordCA94305 United States Hearne Institute for Theoretical Physics Department of Physics and Astronomy Center for Computation and Technology Louisiana State University Baton RougeLA70803 United States Stanford Institute for Theoretical Physics Stanford University StanfordCA94305 United States

The Petz recovery channel plays an important role in quantum information science as an operation that approximately reverses the effect of a quantum channel. The pretty good measurement is a special case of the Petz recovery channel, and it allows for near-optimal state discrimination. A hurdle to the experimental realization of these vaunted theoretical tools is the lack of a systematic and efficient method to implement them. This paper sets out to rectify this lack: using the recently developed tools of quantum singular value transformation and oblivious amplitude amplification, we provide a quantum algorithm to implement the Petz recovery channel when given the ability to perform the channel that one wishes to reverse. Moreover, we prove that, in some sense, our quantum algorithm’s usage of the channel implementation cannot be improved by more than a quadratic factor. Our quantum algorithm also provides a procedure to perform pretty good measurements when given multiple copies of the states that one is trying to distinguish. Copyright © 2020, The Authors. All rights reserved.

关键词： Recovery

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Multi-scale evolution of charmed particles in a nuclear medium

arXiv

引用

arXiv 2022年

作者： Fan, W. Vujanovic, G. Bass, S.A. Majumder, A. Angerami, A. Arora, R. Cao, S. Chen, Y. Dai, T. Du, L. Ehlers, R. Elfner, H. Fries, R.J. Gale, C. He, Y. Heffernan, M. Heinz, U. Jacak, B.V. Jacobs, P.M. Jeon, S. Ji, Y. Kauder, K. Kasper, L. Ke, W. Kelsey, M. Kordell, M. Kumar, A. Latessa, J. Lee, Y.-J. Liyanage, D. Lopez, A. Luzum, M. Mak, S. Mankolli, A. Martin, C. Mehryar, H. Mengel, T. Mulligan, J. Nattrass, C. Oliinychenko, D. Paquet, J.-F. Putschke, J.H. Roland, G. Schenke, B. Schwiebert, L. Sengupta, A. Shen, C. Silva, A. Sirimanna, C. Soeder, D. Soltz, R.A. Soudi, I. Staudenmaier, J. Strickland, M. Tachibana, Y. Velkovska, J. Wang, X.-N. Wolpert, R.L. Zhao, W. Department of Physics Duke University DurhamNC27708 United States Department of Physics and Astronomy Wayne State University DetroitMI48201 United States Department of Physics University of Regina ReginaSKS4S 0A2 Canada Lawrence Livermore National Laboratory LivermoreCA94550 United States Research Computing Group University Technology Solutions The University of Texas at San Antonio San AntonioTX78249 United States Institute of Frontier and Interdisciplinary Science Shandong University Shandong Qingdao266237 China Laboratory for Nuclear Science Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics McGill University MontréalQCH3A2T8 Canada Department of Physics and Astronomy University of Tennessee KnoxvilleTN37996 United States Physics Division Oak Ridge National Laboratory Oak RidgeTN37830 United States GSI Helmholtzzentrum für Schwerionenforschung Darmstadt64291 Germany Institute for Theoretical Physics Goethe University Frankfurt am Main60438 Germany Frankfurt Institute for Advanced Studies Frankfurt am Main60438 Germany Cyclotron Institute Texas A&M University College StationTX77843 United States Department of Physics and Astronomy Texas A&M University College StationTX77843 United States Guangdong Provincial Key Laboratory of Nuclear Science Institute of Quantum Matter South China Normal University Guangzhou510006 China Guangdong-Hong Kong Joint Laboratory of Quantum Matter Southern Nuclear Science Computing Center South China Normal University Guangzhou510006 China Department of Physics The Ohio State University ColumbusOH43210 United States Department of Physics University of California BerkeleyCA94270 United States Nuclear Science Division Lawrence Berkeley National Laboratory BerkeleyCA94270 United States Department of Statistical Science Duke University DurhamNC27708 United

Parton energy-momentum exchange with the quark gluon plasma (QGP) is a multi-scale problem. In this work, we calculate the interaction of charm quarks with the QGP within the higher twist formalism at high virtuality and high energy using the MATTER model, while the low virtuality and high energy portion is treated via a Linearized Boltzmann Transport (LBT) formalism. Coherence effect that reduces the medium-induced emission rate in the MATTER model is also taken into account through a virtuality-dependent qˆ, leaving the simultaneous dependence of qˆ on heavy quark mass and virtuality for future studies. The interplay between these two formalisms is studied phenomenologically and used to produce a first description of the D-meson and charged hadron nuclear modification factor RAA across multiple centralities. All calculations were carried out utilizing the JETSCAPE framework. © 2022, CC BY.

关键词： Hadrons

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Experimental optimal orienteering via parallel and antiparallel spins

arXiv

引用

arXiv 2020年

作者： Tang, Jun-Feng Hou, Zhibo Shang, Jiangwei Zhu, Huangjun Xiang, Guo-Yong Li, Chuan-Feng Guo, Guang-Can Key Laboratory of Quantum Information University of Science and Technology of China CAS Hefei230026 China Synergetic Innovation Center of Quantum Information and Quantum Physics University of Science and Technology of China Hefei230026 China Key Laboratory of Advanced Optoelectronic Quantum Architecture and Measurement of Ministry of Education School of Physics Beijing Institute of Technology Beijing100081 China Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China

Antiparallel spins are superior in orienteering to parallel spins. This intriguing phenomenon is tied to entanglement associated with quantum measurements rather than quantum states. Using photonic systems, we experimentally realize the optimal orienteering protocols based on parallel spins and antiparallel spins, respectively. The optimal entangling measurements for decoding the direction information from parallel spins and antiparallel spins are realized using photonic quantum walks, which is a useful idea that is of wide interest in quantum information processing and foundational studies. Our experiments clearly demonstrate the advantage of antiparallel spins over parallel spins in orienteering. In addition, entangling measurements can extract more information than local measurements even if no entanglement is present in the quantum states. Copyright © 2020, The Authors. All rights reserved.

关键词： Quantum entanglement

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Spinfoam on Lefschetz thimble: Markov chain Monte-Carlo computation of Lorentzian spinfoam propagator

arXiv

引用

arXiv 2020年

作者： Han, Muxin Huang, Zichang Liu, Hongguang Qu, Dongxue Wan, Yidun Department of Physics Florida Atlantic University 777 Glades Road Boca RatonFL33431-0991 United States Institut für Quantengravitation Universität Erlangen-Nürnberg Staudtstr. 7/B2 Erlangen91058 Germany State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Department of Physics Center for Field Theory and Particle Physics Institute for Nanoelectronic devices and Quantum computing Fudan University Shanghai200433 China State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Department of Physics Center for Field Theory and Particle Physics Institute for Nanoelectronic devices and Quantum computing Fudan University Shanghai200433 China Department of Physics Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen518055 China

We compute numerically the Lorentzian Engle-Pereira-Rovelli-Livine (EPRL) spinfoam propagator on a 4-simplex, by adapting the methods of Lefschetz thimble and Markov Chain Monte-Carlo to oscillatory spinfoam integrals. Our method can compute any spinfoam observables at relatively large spins. We obtain the numerical results of the propagators at different spins and demonstrate their consistency with the expected spinfoam semi-classical behavior in the large spin limit. Our results exhibit significant quantum corrections at smaller spins. Our method is reliable and thus can be employed to discover the semi-classical and quantum behaviors of the spinfoam model. Copyright © 2020, The Authors. All rights reserved.

关键词： Monte Carlo methods

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A foundation model for atomistic materials chemistry

arXiv

引用

arXiv 2023年

作者： Batatia, Ilyes Benner, Philipp Chiang, Yuan Elena, Alin M. Kovács, Dávid P. Riebesell, Janosh Advincula, Xavier R. Asta, Mark Avaylon, Matthew Baldwin, William J. Berger, Fabian Bernstein, Noam Bhowmik, Arghya Blau, Samuel M. Cărare, Vlad Darby, James P. De, Sandip Pia, Flaviano Della Deringer, Volker L. Elijošius, Rokas El-Machachi, Zakariya Falcioni, Fabio Fako, Edvin Ferrari, Andrea C. Genreith-Schriever, Annalena George, Janine Goodall, Rhys E.A. Grey, Clare P. Grigorev, Petr Han, Shuang Handley, Will Heenen, Hendrik H. Hermansson, Kersti Holm, Christian Hofmann, Stephan Jaafar, Jad Jakob, Konstantin S. Jung, Hyunwook Kapil, Venkat Kaplan, Aaron D. Karimitari, Nima Kermode, James R. Kroupa, Namu Kullgren, Jolla Kuner, Matthew C. Kuryla, Domantas Liepuoniute, Guoda Margraf, Johannes T. Magdău, Ioan-Bogdan Michaelides, Angelos Harry Moore, J. Naik, Aakash A. Niblett, Samuel P. Norwood, Sam Walton O’Neill, Niamh Ortner, Christoph Persson, Kristin A. Reuter, Karsten Rosen, Andrew S. Schaaf, Lars L. Schran, Christoph Shi, Benjamin X. Sivonxay, Eric Stenczel, Tamás K. Svahn, Viktor Sutton, Christopher Swinburne, Thomas D. Tilly, Jules van der Oord, Cas Vargas, Santiago Varga-Umbrich, Eszter Vegge, Tejs Vondrák, Martin Wang, Yangshuai Witt, William C. Zills, Fabian Csányi, Gábor Engineering Laboratory University of Cambridge Trumpington St and JJ Thomson Ave Cambridge United Kingdom Berlin Germany Department of Materials Science and Engineering University of California BerkeleyCA94720 United States Materials Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Mathematics Department University of British Columbia 1984 Mathematics Rd VancouverBCV6T 1Z2 Canada Institute of Condensed Matter Theory and Solid State Optics Friedrich Schiller University Jena Germany Molecular Foundry Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Bayreuth Germany Fritz-Haber-Institute of the Max-Planck-Society Berlin Germany Energy Technologies Area Lawrence Berkeley National Laboratory BerkeleyCA94720 United States U. S. Naval Research Laboratory WashingtonDC20375 United States Yusuf Hamied Department of Chemistry University of Cambridge Lensfield Road Cambridge United Kingdom Cavendish Laboratory University of Cambridge J. J. Thomson Ave Cambridge United Kingdom Department of Materials Science and Metallurgy University of Cambridge 27 Charles Babbage Road CambridgeCB3 0FS United Kingdom Chemix Inc. SunnyvaleCA94085 United States Inorganic Chemistry Laboratory Department of Chemistry University of Oxford OxfordOX1 3QR United Kingdom Scientific Computing Department Science and Technology Facilities Council Daresbury Laboratory Keckwick Lane DaresburyWA4 4AD United Kingdom BASF SE Carl-Bosch-Straße 38 Ludwigshafen67056 Germany Kavli Institute for Cosmology University of Cambridge Madingley Road CambridgeCB3 0HA United Kingdom Department of Chemistry and Biochemistry University of South Carolina South Carolina29208 United States Lennard-Jones Centre University of Cambridge Trinity Ln CambridgeCB2 1TN United Kingdom Institute for Computational Physics University of Stuttgart Stuttgart70569 Germany Department of Chemistry–Ångström Uppsala University Box 538 Uppsala

Machine-learned force fields have transformed the atomistic modelling of materials by enabling simulations of ab initio quality on unprecedented time and length scales. However, they are currently limited by: (i) the significant computational and human effort that must go into development and validation of potentials for each particular system of interest;and (ii) a general lack of transferability from one chemical system to the next. Here, using the state-of-the-art MACE architecture we introduce a single general-purpose ML model, trained on a public database of 150k inorganic crystals, that is capable of running stable molecular dynamics on molecules and materials. We demonstrate the power of the MACE-MP-0 model — and its qualitative and at times quantitative accuracy — on a diverse set problems in the physical sciences, including the properties of solids, liquids, gases, chemical reactions, interfaces and even the dynamics of a small protein. The model can be applied out of the box and as a starting or "foundation model" for any atomistic system of interest and is thus a step towards democratising the revolution of ML force fields by lowering the barriers to entry. © 2023, CC BY-NC-ND.

关键词： Molecular dynamics

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