Computational Materials Science Solutions

Take Control of Your Scientific Workflow Start to Finish

Model and examine intricate atomic behaviors through molecular dynamics, atomistic simulations, and quantum chemistry workflows with exceptional accuracy and efficiency. Bring your research discoveries to life faster while eliminating ongoing cloud computing costs. Exxact collaborates with industry experts to deliver the ideal solution, allowing you to spend less time configuring and more time making groundbreaking discoveries.

  • Infinitely model and simulate candidates with zero additional cloud cost.
  • Keep your data, hardware, and entire workflow local and under your control.
  • Preinstalled software and optimized for your materials science workflow.
  • Scale up your computing at any time; Exxact system are all interoperable.

Configure a Workstations for Molecular Modeling, Structure Analysis, and Quantum Chemistry

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4x GPU Intel Xeon W-3500X/3400XWorkstation

VWS-107355433

Starting at

$7,393.10

Highlights
CPU1x Intel Xeon W-3500X/3400X
GPUUp to 4x RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR5 ECC (Up to 1TB)
STO3x M.2 + 7x Internal Drives
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4x GPU AMD Threadripper PRO 9000WX/7000WXWorkstation

VWS-135223847

Starting at

$8,944.10

Highlights
CPU1x AMD Ryzen Threadripper PRO 9000WX/7000WX
GPUUp to 4x RTX PRO 6000 Blackwell or 2x RTX 5090/5080, and more
MEM8x DDR5 ECC (Up to 1TB)
STO3x M.2 + 7x Internal Drives
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4x GPU Dual Intel Xeon ScalableRackmountable

TWS-154715021

Starting at

$11,385.00

Highlights
CPU2x 4th/5th Gen Intel Xeon Scalable
GPUUp to 4x NVIDIA H100 NVL, RTX PRO 6000 Blackwell, and more
MEM16x DDR5 ECC (Up to 2TB)
STO8x 3.5" Hot-Swap

Configure a GPU Server for Molecular Modeling, Structure Analysis, and Quantum Chemistry

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4x GPU 4th/5th Gen Intel Xeon Scalable 2UServer

TS2-100183160

Starting at

$9,341.20

Highlights
CPU2x 4th/5th Gen Intel Xeon Scalable
GPUUp to 4x NVIDIA H100 NVL, RTX PRO 6000 Blackwell, and more
MEM16x DDR5 ECC (Up to 2TB)
STO4x 3.5" + 2x 2.5" Hot-Swap
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8x GPU Dual AMD EPYC 9005/9004 4UServer

TS4-185599419

Starting at

$21,237.70

Highlights
CPU2x AMD EPYC 9005/9004
GPUUp to 8x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM24x DDR5 ECC (Up to 3TB)
STO24x 2.5" Hot-Swap (20x SATA, 4x NVMe)
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10x GPU Dual AMD EPYC 9005/9004 4UServer

TS4-130227231

Starting at

$23,437.70

Highlights
CPU2x AMD EPYC 9005/9004
GPUUp to 10x Double-Wide GPUs: NVIDIA H200 NVL, RTX PRO 6000 Blackwell, and more
MEM24x DDR5 ECC (Up to 3TB)
STO16x 2.5" NVMe Hot-Swap

Powering Any Stage of the Material Science Workflow

Workstations and Servers for Atomistic & Molecular Simulation

Atomistic Simulation

Simulate complex atomic interactions and material properties with GPU-accelerated computational tools like MedeA, LAMMPS, TeraChem, GROMACS, and more. Configure an Exxact systems for molecular dynamics and atomistic modeling to accelerate your materials discovery and innovation.

Workstations and Servers for Materials Modeling

Materials Modeling

In conjunction with molecular simulation, design new material candidates' molecular structure with LAMMPS, Avogadro, CHARMM, and more. Model accurate simulations of material structures, properties, and behaviors to optimize material development cycles.

Workstations and Servers for Quantum Chemistry

Quantum Chemistry

Explore molecular behavior and chemical reactions at the quantum level with Gaussian, Schrödinger, and more. Exxact GPU-accelerated solutions enable accurate density functional theory (DFT) calculations, ab initio simulations, and electronic structure analysis.

Workstations and Servers for Electronic Structure

Electronic Structure

Study properties of materials with electronic structure analysis using advanced computational methods in VASP, ESPResSo, and more. Evaluate density functional theory and many-body perturbation theory calculations in novel materials.

Scale Up with Exxact Rack as Your Team & Demands Grow

Purpose-built for materials science discovery, our Exxact Rack-Scale HPC Clusters deliver the computational density and efficiency required for the entire workflow: atomistic simulation, materials modeling, quantum chemistry, electronic structure, and more. Exxact Racks are fully configurable to your budget and computing needs, providing scalable, reproducible, and organized performance for advanced analysis in a large team environment.

Exxact RackEXXpress rack integration caters to any stage of computing: few, many, or full-scale multi-node deployment. We’ll handle everything from start to finish, including hardware configuration (servers and storage), networking (Ethernet, fiber, and/or Infiniband), cluster management (OpenHPC or TrinityX), delivery, assembly, and more.

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Exxact Life Science Enterprise

Prevalidated and optimized rack-scale cluster management purpose-built for your scientific computing workflows. Optimized for your unique workflow, accelerate project pipelines and streamline development cycles with confidence. Monitor, optimize, and visualize computing resources and maximize your computing infrastructure's uptime and usage.

Interested?

Talk to our experienced engineers for more information.

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