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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Accelerated Molecular Sim" (18 stories)

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Accelerating molecular dynamics simulations using fast Ewald summation with prolates
Lead StoryNaturegeneral
May 21

Accelerating molecular dynamics simulations using fast Ewald summation with prolates

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE12Y3VNU3lLbmhMRXNKSGRBYmZXV01zRkc1QXZZMlF6RmpGaVNWdmJ6T3dGMlFVSlNnSDF1a0dHQ1VqQW83MVZYZldEVFJjeTViXzRiSXF1TUU3VTFJNWhJ?oc=5" target="_blank">Accelerating molecular dynamics simulations using fast Ewald summation with prolates</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Accelerated Molecular Sim"

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17 stories displayed
How AI Coding Agents Can Unlock Materials Simulation with NVIDIA ALCHEMI Toolkit | NVIDIA Technical Blog
NVIDIA Developertech

How AI Coding Agents Can Unlock Materials Simulation with NVIDIA ALCHEMI Toolkit | NVIDIA Technical Blog

<a href="https://news.google.com/rss/articles/CBMitgFBVV95cUxQaU5NTHhYaE9LOXVTMlhmVDF1MHUzejY5cnAwaWpndWlocV9zMUNzRlhMZHJNQlU1SDdIT0d1Q194WTZRYldLbzIzWTNUOW9Jc3F0QlA5aFlDV1RFYjlZdXdPSWJ6M0tWOS1rdm1pVXh4a0NNcVZVSTZiMlo2eWViV0ZTcld3ZGhXLW1JYTBMTU5hcDJ4eElPVi14aXFNU284UHpYVFNReWo0bURjUTZXZVduS21HZw?oc=5" target="_blank">How AI Coding Agents Can Unlock Materials Simulation with NVIDIA ALCHEMI Toolkit | NVIDIA Technical Blog</a>  <font color="#6f6f6f">NVIDIA Developer</font>

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Silicon Quantum Computing Introduces ‘Quantum Twins’ for Materials Simulation
The Quantum Insidergeneral

Silicon Quantum Computing Introduces ‘Quantum Twins’ for Materials Simulation

<a href="https://news.google.com/rss/articles/CBMiuAFBVV95cUxObHFxUkhfWHJWcWh0Z2dxRmdxaWg0Rkk5V0ZzUFhCdFhXRVd0R2RqVmNnemxBelppMjc5YmNEaWkwVXZibzVlbE85UzdSSFRmQ01HRllzMDhibnc1XzZLbmJUOHo4TzNPWUE0YWR3RjRUNzU4aENRWDRwMTJQRHhUZzh1RENLSWJTZjVpYXltZUN1NGRtM0JoUVJLNGRxR3pQWVBqZzNMRU9Zd3FRc3k1ZHhvbFMxV1kt?oc=5" target="_blank">Silicon Quantum Computing Introduces ‘Quantum Twins’ for Materials Simulation</a>  <font color="#6f6f6f">The Quantum Insider</font>

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Accelerated Molecular Simulation Using Deep Potential Workflow with NGC | NVIDIA Technical Blog
NVIDIA Developertech

Accelerated Molecular Simulation Using Deep Potential Workflow with NGC | NVIDIA Technical Blog

<a href="https://news.google.com/rss/articles/CBMiqgFBVV95cUxNakRBRWZhOXRrM1dDMFlQVnhkOU9NN1Y2Y1drOVFiSHR3WnBzSWg1VlFGX2wxWFRxY3FwZWhSSll0dWoxaEtWTlhfVzZYU2tWNVAwUEpUaUxieG9rb0JCemVveWcxOUM2R2ZuRnZ0YjhubEJBbXJQci1VaHN0eDFmdElKU1pjU1pVOWYwbkhlUTRUbkNON0dUUk5fd0Q1LWlhVjNvNXVOM0hzQQ?oc=5" target="_blank">Accelerated Molecular Simulation Using Deep Potential Workflow with NGC | NVIDIA Technical Blog</a>  <font color="#6f6f6f">NVIDIA Developer</font>

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Accelerating drug discovery and repurposing by combining transcriptional signature connectivity with docking
Science | AAASgeneral

Accelerating drug discovery and repurposing by combining transcriptional signature connectivity with docking

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBTb1dSSjJweXRpakpGTGR1SUZOdjBKT2RuOGI5ZXViTXFSQ3dRQi03aEhuTkRMLXpXMFEzRGgwNHp6MHN5aFZwSklCVzlHWTlDcjI0SmpVX3ctc1RwSlcw?oc=5" target="_blank">Accelerating drug discovery and repurposing by combining transcriptional signature connectivity with docking</a>  <font color="#6f6f6f">Science | AAAS</font>

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Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications
Naturegeneral

Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE0wMzF3UElzaGxjUk1HMktDU0xxa2t2Qy1KMFJuSjR5cldzZEwzWndlLVZCZy1mbW9oYVlacE1jcGJFcHl2Z3hrcmpyQzhUWmlGcjJpaXUzc2duaHUydC1j?oc=5" target="_blank">Accelerating charge estimation in molecular dynamics simulations using physics-informed neural networks: corrosion applications</a>  <font color="#6f6f6f">Nature</font>

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TorchSim: A Next-Generation PyTorch-Native Atomistic Simulation Engine for the MLIP Era
MarkTechPostgeneral

TorchSim: A Next-Generation PyTorch-Native Atomistic Simulation Engine for the MLIP Era

<a href="https://news.google.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?oc=5" target="_blank">TorchSim: A Next-Generation PyTorch-Native Atomistic Simulation Engine for the MLIP Era</a>  <font color="#6f6f6f">MarkTechPost</font>

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PFN’s MN-Core Deep Learning Processor Now Powers AI-Accelerated Materials Simulator Matlantis
株式会社Preferred Networkstech

PFN’s MN-Core Deep Learning Processor Now Powers AI-Accelerated Materials Simulator Matlantis

<a href="https://news.google.com/rss/articles/CBMiVkFVX3lxTE96UG04SVB3YVpfeDBiMk1pODFySk1MSDNsWDVHZzA5UWlGLTV0TzZid3dJdC1tVlhvWDF5YVJaMFVHTWtYSVVFdXVHbGV2NlFObGk3X1Jn?oc=5" target="_blank">PFN’s MN-Core Deep Learning Processor Now Powers AI-Accelerated Materials Simulator Matlantis</a>  <font color="#6f6f6f">株式会社Preferred Networks</font>

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New Study Provides First Precise Explanation for How Lightning Initiates in Nature
Sci.Newsgeneral

New Study Provides First Precise Explanation for How Lightning Initiates in Nature

<a href="https://news.google.com/rss/articles/CBMigwFBVV95cUxNN2VZQWFqbmRmZHAwX21jMWR5bHpXUEl5UFpCNlE2aEkteDJncUxES0g0U0UtRkdfRy1Rc2tveUEtR0tZblB5enNYWTM4MG1rMkhtbGRHWUpVTnlxZGxwM0RyRU1Ld3hmcE9ad2tSalhRdTZTdjdJX1hZbzZqelBCMWFmUQ?oc=5" target="_blank">New Study Provides First Precise Explanation for How Lightning Initiates in Nature</a>  <font color="#6f6f6f">Sci.News</font>

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Nvidia’s newest cloud service promises to accelerate quantum computing simulations
SiliconANGLEgeneral

Nvidia’s newest cloud service promises to accelerate quantum computing simulations

<a href="https://news.google.com/rss/articles/CBMi2gFBVV95cUxOMVkwUW11d3E2UmVFejJwTEl4aE5uSnNqMGZLQ2hZNUNlZU5xdTJ0VUIyeUFIQms1VVJySkRBLVpKc291SC1Ccm9jaE9WY3h0T1FIOFdyVjlfV08xOUlzMWItOWJEYmhpRDVhUDRFTE1hZF9scnBCYUFWSzRyb2VsMW1LWnMtdlVoT1RJU1pqZFAyM003dU1fSTJYX21tSVV2NU9WWnNnOUo0RE16cE16QmYtd0ZGWWowWUxhdzFyQ1hWSWpjd3UxR1IxRm9zcG9abzBPSDEyakVaQQ?oc=5" target="_blank">Nvidia’s newest cloud service promises to accelerate quantum computing simulations</a>  <font color="#6f6f6f">SiliconANGLE</font>

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Implementing reactivity in molecular dynamics simulations with harmonic force fields
Naturegeneral

Implementing reactivity in molecular dynamics simulations with harmonic force fields

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9KbF9wMGpxdF9mNjlYcjdyMWx4NFNoa0JlcEVlc2tYSzQyQWcyTkxBT2Y1RF93MldTRXFlV1dTR3NBUW1nYTg2cWRMRUZnYmluRldvaHVWaHVrcmxDNTU0?oc=5" target="_blank">Implementing reactivity in molecular dynamics simulations with harmonic force fields</a>  <font color="#6f6f6f">Nature</font>

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Maximizing OpenMM Molecular Dynamics Throughput with NVIDIA Multi-Process Service
NVIDIA Developergeneral

Maximizing OpenMM Molecular Dynamics Throughput with NVIDIA Multi-Process Service

<a href="https://news.google.com/rss/articles/CBMitwFBVV95cUxNVWhxT05zT0pwTXJSdEJBXzJsSEJUVWxyV0VzTFlaNkd1YjdMUkdQVkNCXzU3V2JMcmF5OVpsN013Y0I4UW5VQlN2TTVLMGljYlROc2t0RlRKdXNfemlXOFNydnhxNzNBaVNTWklxX241a1hRd29fOVJLMmFXTFVIMmpzeVJDaUFHT1FvaEpva2FsM2tMZFBJQm8zNjhueGhZMnBOYUt2WkE0NnNhMzVKemg2Y00xdjg?oc=5" target="_blank">Maximizing OpenMM Molecular Dynamics Throughput with NVIDIA Multi-Process Service</a>  <font color="#6f6f6f">NVIDIA Developer</font>

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Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites
Naturegeneral

Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE40N0plemtyZTZYUkEySGw3Z19vS2NJVWJSX3VJQl9pdjRFa0NRNjlmUy0xbGRCNi15RFZobVNXSEh1aTJuWnV5X2RRRUkzTXRZWC11eTVLNzhtSThrSTVV?oc=5" target="_blank">Multiscale mechanics and molecular dynamics simulations of the durability of fiber-reinforced polymer composites</a>  <font color="#6f6f6f">Nature</font>

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MELD-accelerated molecular dynamics help determine amyloid fibril structures
Naturegeneral

MELD-accelerated molecular dynamics help determine amyloid fibril structures

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9jLWhmOHc1bFZfbEVCUEpkd080Ujk4WElJSlVYMlI5eXJWRlRneGwwV0tTRXdyRFJXVEVEeE1fbWpLWjdKcEVrdGpqZzhMRF96Y3ZBV0o1WmxEdmw2R0Fn?oc=5" target="_blank">MELD-accelerated molecular dynamics help determine amyloid fibril structures</a>  <font color="#6f6f6f">Nature</font>

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A molecular dynamics simulation study decodes the Zika virus NS5 methyltransferase bound to SAH and RNA analogue
Natureworld

A molecular dynamics simulation study decodes the Zika virus NS5 methyltransferase bound to SAH and RNA analogue

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9Nd3poWEpheEhRMXE5aEVBOFFKaE1yQVhsLTlpN2hFVWx0eDkydzR1N2VLc1U3V1BkalJTM3BHczNzNUhSY1oxUFpxbUEwWDVkLUptNzdKdkpRQ0x0Z2tr?oc=5" target="_blank">A molecular dynamics simulation study decodes the Zika virus NS5 methyltransferase bound to SAH and RNA analogue</a>  <font color="#6f6f6f">Nature</font>

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Deep learning workflow for the inverse design of molecules with specific optoelectronic properties
Naturegeneral

Deep learning workflow for the inverse design of molecules with specific optoelectronic properties

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE44UTZHNWlXVkR4N3FLa3ZBM0dEU3VSRU5TYnZXWWJSWVBGYXJVVTVKb2p1OXdvU0wxbk8xVnVzQWo5VzFZZTY4aUgtMnp5Zkx1eUhxVFduMnJ3cUN6X004?oc=5" target="_blank">Deep learning workflow for the inverse design of molecules with specific optoelectronic properties</a>  <font color="#6f6f6f">Nature</font>

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Molecular dynamics study of the effect of extended ingrain defects on grain growth kinetics in nanocrystalline copper
Naturetech

Molecular dynamics study of the effect of extended ingrain defects on grain growth kinetics in nanocrystalline copper

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBmN0w1cGtReDlORE1DTThBVjFNQVoyT013ZXZ3RGg3dFdyOGlfaGE4ZkFBaDd4VXdFLXZNektZY1FoNTdpZWFwOERGVDVyelo2LUZBcGlJWjhkZXRlYzFz?oc=5" target="_blank">Molecular dynamics study of the effect of extended ingrain defects on grain growth kinetics in nanocrystalline copper</a>  <font color="#6f6f6f">Nature</font>

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Automatic classification and segmentation of single-molecule fluorescence time traces with deep learning
Naturegeneral

Automatic classification and segmentation of single-molecule fluorescence time traces with deep learning

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE81X1h5V3JEZFZxaU85cEtlcGZneHd2azA1OUVPSU41bzZEUDRHYlprYkN3T0F4Ymk0a2ZvZ3dhdmZjdDRlNE1kcHdJVXNfeEJoRUlEa1FHTFZSWlhFZllZ?oc=5" target="_blank">Automatic classification and segmentation of single-molecule fluorescence time traces with deep learning</a>  <font color="#6f6f6f">Nature</font>

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