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Category: supercomputing – Page 99

Modified NWChem Code Utilizes Supercomputer Parallelization

Quicker time to discovery. That’s what scientists focused on quantum chemistry are looking for. According to Bert de Jong, Computational Chemistry, Materials and Climate Group Lead, Computational Research Division, Lawrence Berkeley National Lab (LBNL), “I’m a computational chemist working extensively with experimentalists doing interdisciplinary research. To shorten time to scientific discovery, I need to be able to run simulations at near-real-time, or at least overnight, to drive or guide the next experiments.” Changes must be made in the HPC software used in quantum chemistry research to take advantage of advanced HPC systems to meet the research needs of scientists both today and in the future.

NWChem is a widely used open source software computational chemistry package that includes both quantum chemical and molecular dynamics functionality. The NWChem project started around the mid-1990s, and the code was designed from the beginning to take advantage of parallel computer systems. NWChem is actively developed by a consortium of developers and maintained by the Environmental Molecular Sciences Laboratory (EMSL) located at the Pacific Northwest National Laboratory (PNNL) in Washington State. NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

“Rapid evolution of the computational hardware also requires significant effort geared toward the modernization of the code to meet current research needs,” states Karol Kowalski, Capability Lead for NWChem Development at PNNL.

This Amazing Computer Chip Is Made of Live Brain Cells

A few years ago, researchers from Germany and Japan were able to simulate one percent of human brain activity for a single second. It took the processing power of one of the world’s most powerful supercomputers to make that happen.

Hands down, the human brain is by far the most powerful, energy efficient computer ever created.

So what if we could harness the power of the human brain by using actual brain cells to power the next generation of computers?

As crazy as it sounds, that’s exactly what neuroscientist Osh Agabi is building. Koniku, Agabi’s startup, has developed a prototype 64-neuron silicon chip.

Multi-scale simulations solve a plasma turbulence mystery

Solving the turbulence plasma mystery.

Cutting-edge simulations run at Lawrence Berkeley National Laboratory’s National Energy Research Scientific Computing Center (NERSC) over a two-year period are helping physicists better understand what influences the behavior of the plasma turbulence that is driven by the intense heating necessary to create fusion energy. This research has yielded exciting answers to long-standing questions about plasma heat loss that have previously stymied efforts to predict the performance of fusion reactors and could help pave the way for this alternative energy source.

The key to making fusion work is to maintain a sufficiently high temperature and density to enable the atoms in the reactor to overcome their mutual repulsion and bind to form helium. But one side effect of this process is turbulence, which can increase the rate of plasma, significantly limiting the resulting energy output. So researchers have been working to pinpoint both what causes the turbulence and how to control or possibly eliminate it.

Because are extremely complex and expensive to design and build, supercomputers have been used for more than 40 years to simulate the conditions to create better reactor designs. NERSC is a Department of Energy Office of Science User Facility that has supported fusion research since 1974.

Scientists Create Functional Model of a Living and Breathing Supercomputer

In what appears at first to be a storyline ripped from a sci-fi thriller, a multi-national research team spread across two continents, four countries, and ten years in the making have created a model of a supercomputer that runs on the same substance that living things use as an energy source.

Humans and virtually all living things rely on Adenosine triphosphate ( ATP ) to provide the energy our cells need to perform daily functions. The biological computer created by the team led by Professor Dan Nicolau, Chair of the Department of Bioengineering at McGill, also relies on ATP for power.

The biological computer is able to process information very quickly and operates accurately using parallel networks like contemporary massive electronic super computers. In addition, the model is lot smaller in size, uses relatively less energy, and functions using proteins that are present in all living cells.

Peter Wittek, a roving adventurer between machine intelligence and quantum physics

I must admit, when people see that you work with Quantum Computing and/ or networking; they have no idea how to classify you because you’re working on Nextgen “disruptive” technology that most of mainstream has not been exposed to.

Peter Wittek and I met more than a decade ago while he was an exchange student in Singapore. I consider him one of the most interesting people I’ve met and an inspiration to us all.

Currently, he is a research scientist working on quantum machine learning, an emergent field halfway between data science and quantum information processing. Peter also has a long history in machine learning on supercomputers and large-scale simulations of quantum systems. As a former digital nomad, Peter has been to over a hundred countries, he is currently based in Barcelona where, outside work hours, he focuses on dancing salsa, running long distances, and advising startups.

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Scientists successfully test ‘biological supercomputer’ performing complex tasks

Researchers have taken on the problem of reducing a super computer the size of a basketball field to that of a book. The answer is “biocomputers” – incredibly powerful machines capable of performing multiple calculations with a fraction of energy.

According to study coordinator Heiner Linke, who heads nanoscience at Lund University in Sweden, “a biocomputer requires less than one percent of the energy an electronic transistor needs to carry out one calculation step.”

A biocomputer is useful because ordinary computers are incapable of solving combinational problems, such as those dealing with cryptography or other tasks requiring that a multitude of possible solutions be considered before deciding on the optimal one. These already exist, but the new research from Lund tackles the key problems of scalability and energy efficiency.

Building Living, Breathing Supercomputers

The substance that provides energy to all the cells in our bodies, Adenosine triphosphate (ATP), may also be able to power the next generation of supercomputers. The discovery opens doors to the creation of biological supercomputers that are about the size of a book. That is what an international team of researchers led by Prof. Nicolau, the Chair of the Department of Bioengineering at McGill, believe. They’ve published an article on the subject earlier this week in the Proceedings of the National Academy of Sciences (PNAS), in which they describe a model of a biological computer that they have created that is able to process information very quickly and accurately using parallel networks in the same way that massive electronic super computers do.

Except that the model bio supercomputer they have created is a whole lot smaller than current supercomputers, uses much less energy, and uses proteins present in all living cells to function.

Doodling on the back of an envelope

“We’ve managed to create a very complex network in a very small area,” says Dan Nicolau, Sr. with a laugh. He began working on the idea with his son, Dan Jr., more than a decade ago and was then joined by colleagues from Germany, Sweden and The Netherlands, some 7 years ago. “This started as a back of an envelope idea, after too much rum I think, with drawings of what looked like small worms exploring mazes.”