Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Quantum key distribution (QKD)1,2 allows two distant parties to share encryption keys with security based on physical laws. Experimentally, QKD has been implemented via optical means, achieving key rates of 1.26 megabits per second over 50 kilometres of standard optical fibre3 and of 1.16 bits per hour over 404 kilometres of ultralow-loss fibre in a measurement-device-independent configuration4. Increasing the bit rate and range of QKD is a formidable, but important, challenge. A related target, which is currently considered to be unfeasible without quantum repeaters5–7, is overcoming the fundamental rate–distance limit of QKD8. This limit defines the maximum possible secret key rate that two parties can distil at a given distance using QKD and is quantified by the secret-key capacity of the quantum channel9 that connects the parties. Here we introduce an alternative scheme for QKD whereby pairs of phase-randomized optical fields are first generated at two distant locations and then combined at a central measuring station. Fields imparted with the same random phase are ‘twins’ and can be used to distil a quantum key. The key rate of this twin-field QKD exhibits the same dependence on distance as does a quantum repeater, scaling with the square-root of the channel transmittance, irrespective of who (malicious or otherwise) is in control of the measuring station. However, unlike schemes that involve quantum repeaters, ours is feasible with current technology and presents manageable levels of noise even on 550 kilometres of standard optical fibre. This scheme is a promising step towards overcoming the rate–distance limit of QKD and greatly extending the range of secure quantum communications. Twin optical fields enable a form of quantum key distribution that can exceed the secret-key capacity without using quantum repeaters and that has security independent of the measuring devices.

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Overcoming the rate-distance limit of quantum key distribution without quantum repeaters.

Quantum cryptography is arguably the fastest growing area in quantum
information science. Novel theoretical protocols are designed on a regular
basis, security proofs are constantly improving, and experiments are
gradually moving from proof-of-principle lab demonstrations to in-field
implementations and technological prototypes. In this paper, we provide
both a general introduction and a state-of-the-art description of the
recent advances in the field, both theoretical and experimental. We start
by reviewing protocols of quantum key distribution based on discrete
variable systems. Next we consider aspects of device independence,
satellite challenges, and protocols based on continuous-variable systems.
We will then discuss the ultimate limits of point-to-point private
communications and how quantum repeaters and networks may overcome these
restrictions. Finally, we will discuss some aspects of quantum
cryptography beyond standard quantum key distribution, including quantum
random number generators and quantum digital signatures.

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Advances in quantum cryptography

Some years ago quantum hacking became popular: devices implementing the unbreakable quantum cryptography were shown to have imperfections which could be exploited by attackers. Security has been thoroughly enhanced, as a consequence of both theoretical and experimental advances. This review gives both sides of the story, with the current best theory of quantum security, and an extensive survey of what makes quantum cryptosystem safe in practice.

Secure quantum key distribution with realistic devices

In the past decade, an exciting realization has been that diverse liver diseases — ranging from nonalcoholic steatohepatitis, alcoholic steatohepatitis and cirrhosis to hepatocellular carcinoma — fall along a spectrum. Work on the biology of the gut–liver axis has assisted in understanding the basic biology of both alcoholic fatty liver disease and nonalcoholic fatty liver disease (NAFLD). Of immense importance is the advancement in understanding the role of the microbiome, driven by high-throughput DNA sequencing and improved computational techniques that enable the complexity of the microbiome to be interrogated, together with improved experimental designs. Here, we review gut–liver communications in liver disease, exploring the molecular, genetic and microbiome relationships and discussing prospects for exploiting the microbiome to determine liver disease stage and to predict the effects of pharmaceutical, dietary and other interventions at a population and individual level. Although much work remains to be done in understanding the relationship between the microbiome and liver disease, rapid progress towards clinical applications is being made, especially in study designs that complement human intervention studies with mechanistic work in mice that have been humanized in multiple respects, including the genetic, immunological and microbiome characteristics of individual patients. These ‘avatar mice’ could be especially useful for guiding new microbiome-based or microbiome-informed therapies.

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The gut–liver axis and the intersection with the microbiome

Quantum cryptography founded on the laws of physics could revolutionize the way in which communication information is protected. Significant progresses in long-distance quantum key distribution based on discrete variables have led to the secure quantum communication in real-world conditions being available. However, the alternative approach implemented with continuous variables has not yet reached the secure distance beyond 100 km. Here, we overcome the previous range limitation by controlling system excess noise and report such a long distance continuous-variable quantum key distribution experiment. Our result paves the road to the large-scale secure quantum communication with continuous variables and serves as a stepping stone in the quest for quantum network.

/pdf/long-distance-continuous-variable-quantum-key-distribution-5beks0ex3c.pdf

Long-distance continuous-variable quantum key distribution by controlling excess noise

We report a 100-MHz continuous-variable quantum key distribution (CV-QKD) experiment over a 25-km fiber channel without sending a local oscillator (LO). We use a "locally" generated LO and implement with a 1-GHz shot-noise-limited homodyne detector to achieve high-speed quantum measurement, and we propose a secure phase compensation scheme to maintain a low level of excess noise. These make high-bit-rate CV-QKD significantly simpler for larger transmission distances compared with previous schemes in which both LO and quantum signals are transmitted through the insecure quantum channel.

High-speed continuous-variable quantum key distribution without sending a local oscillator.

We report the first continuous-variable quantum key distribution (CVQKD) experiment to enable the creation of 1 Mbps secure key rate over 25 km standard telecom fiber in a coarse wavelength division multiplexers (CWDM) environment. The result is achieved with two major technological advances: the use of a 1 GHz shot-noise-limited homodyne detector and the implementation of a 50 MHz clock system. The excess noise due to noise photons from local oscillator and classical data channels in CWDM is controlled effectively. We note that the experimental verification of high-bit-rate CVQKD in the multiplexing environment is a significant step closer toward large-scale deployment in fiber networks.

Continuous-variable quantum key distribution with 1 Mbps secure key rate

We report on what we believe is the first field implementation of a continuous-variable quantum key distribution (CV-QKD) network with point-to-point configuration. Four QKD nodes are deployed on standard communication infrastructures connected with commercial telecom optical fiber. Reliable key exchange is achieved in the wavelength-division-multiplexing CV-QKD network. The impact of a complex and volatile field environment on the excess noise is investigated, since excess noise controlling and reduction is arguably the major issue pertaining to distance and the secure key rate. We confirm the applicability and verify the maturity of the CV-QKD network in a metropolitan area, thus paving the way for a next-generation global secure communication network.

Field demonstration of a continuous-variable quantum key distribution network.

A suitable photon-subtraction operation can be exploited to improve the maximal transmission of continuous-variable quantum key distribution (CVQKD) in point-to-point quantum communication. Unfortunately, the photon-subtraction operation faces solving the improvement transmission problem of practical quantum networks, where the entangled source is located in the third part, which may be controlled by a malicious eavesdropper, instead of in one of the trusted parts, controlled by Alice or Bob. In this paper, we show that a solution can come from using a non-Gaussian operation, in particular, the photon-subtraction operation, which provides a method to enhance the performance of entanglement-based (EB) CVQKD. Photon subtraction not only can lengthen the maximal transmission distance by increasing the signal-to-noise rate but also can be easily implemented with existing technologies. Security analysis shows that CVQKD with an entangled source in the middle (ESIM) from applying photon subtraction can well increase the secure transmission distance in both direct and reverse reconciliations of the EB-CVQKD scheme, even if the entangled source originates from an untrusted part. Moreover, it can defend against the inner-source attack, which is a specific attack by an untrusted entangled source in the framework of ESIM.

Duan Huang

Papers

Long-distance continuous-variable quantum key distribution by controlling excess noise

High-speed continuous-variable quantum key distribution without sending a local oscillator.

Continuous-variable quantum key distribution with 1 Mbps secure key rate

Field demonstration of a continuous-variable quantum key distribution network.

Performance improvement of continuous-variable quantum key distribution with an entangled source in the middle via photon subtraction