QSimulate

A new publication from RIKEN has described a native integration of the highly efficient QSimulate-QM software and RIKEN’s GENESIS molecular dynamics (MD) program, achieving unprecedented throughput for the simulations of large protein reactions. High throughput suggests a broadened scope of applicability for QM/MM calculations going forward. Questions of drug discovery and materials development that have previously been beyond the reach of QM due to insufficient turnaround now appear to be within our grasp.

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(April 29th, 2021)

QSimulate is excited to announce that we have closed a $5 million seed round to accelerate our efforts to revolutionize the impact of quantum-based simulations on drug discovery and materials development. We are expanding our product and business efforts, and we'll soon be announcing several opportunities to join our amazing team. Stay tuned!

(April 12th, 2021)

The National Institutes of Health (NIH) has announced the award of a research grant to QSimulate. The grant, “Scoring ligand/protein interactions using a novel high performance implementation of DFT quantum mechanics,” will fund efforts to integrate quantum mechanics into the process of drug discovery in a manner that was previously impossible. David A Pearlman, VP of Product at QSimulate, will serve as the Principal Investigator on the project.

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(March 1st, 2021)

In a new publication, scientists at start-up QSimulate describe the application of a new and novel implementation of quantum mechanics (QM) to the question of how well various diverse drugs bind to SARS-CoV-2 Mpro, a protein required for the replication of COVID-19. The diversity in structure and formal charge of this set is large, rendering accurate scoring by traditional methods difficult or impossible. However, QSimulate has demonstrated that QM with high accuracy can successfully rank binding strength for this challenging set. The results suggest a broader path forward for the integration of QM in drug discovery.

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(October 19th, 2020)

AWS made an announcement on the general availability of Amazon Braket, in which QSimulate's collaboration with Amgen was highlighted as a success of QSimulate as a launch partner of Amazon Quantum Solutions Lab.

...Yax Sun, Director and Narbe Mardirossian, Scientist, at Amgen. “By collaborating with the Amazon Quantum Solutions Lab and QSimulate, we’ve been able to quickly build and test a cloud-based approach using multiple compute resources on AWS for a critical drug discovery process—a process we plan to transition to a quantum computer in the future when it is practical. Looking ahead, Amazon Braket has the potential to substantially benefit the research and scientific community by providing on-demand access to quantum computing technologies and accelerate innovation in biotechnology.

(August 14th, 2020)

The QSimulate quantum simulation platform that enables unprecedented high throughput, QSimulate-MI, has been enlisted by JSR Corporation, one of the major players in the display, semiconductor, optical, and polymer materials market, to enable the discovery of novel materials using Materials Informatics (MI) approaches. In this partnership, QSimulate has provided JSR access to its unique automated QM tools on the cloud, making it possible to run high accuracy quantum calculations for thousands of molecules on a daily basis. This, in turn, provides a superior dataset for Materials Informatics, as well as the ability to efficiently supplant that training set as required.

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(July 2nd, 2020)

Quantum-based startup QSimulate has announced a collaboration with Amgen focused on integrating large scale, high accuracy, quantum mechanics calculations (QM) into the drug discovery pipeline. The impetus for the new collaboration is the development by QSimulate of a novel implementation of density functional theory, a variant of QM, that allows these calculations to be run with discovery-relevant throughput on realistic ligand/protein models for the first time by taking full advantage of cloud resources.

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(April 21st, 2020)

QSimulate is pleased to announce delivery of phases I and II of its contract with Google AI Quantum Lab.

"We are very happy to partner with QSimulate, a leading developer of HPC based quantum software, as we move towards products for the emerging quantum market", says Ryan Babbush, Head of Quantum Algorithms at Google Quantum. "Our partnership with Google further advances our position in this area and will open up new audiences for our unique technologies", says Toru Shiozaki, CEO of QSimulate.

(April 2nd, 2020)

QSimulate has been selected among the few launching partners of Amazon Quantum Solution Lab as a pioneer in the quantum mechanical simulations space.

The Amazon Quantum Solutions Lab connects customers with quantum computing experts from Amazon and its technology and consulting partners to help discover new applications and find ways to apply quantum computing inside their organizations. As the technology eventually reaches the point of commercial viability, AWS and its partners will collaborate on experiments with customers and guide them to incorporate quantum solutions into their business. Among other launching partners are 1Qbit, Rahko, Rigetti, QCWare, Xanadu, and Zapata.

(December 2nd, 2019. Link)