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Computational Materials Science

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Unlock faster simulations and deeper insights with Exxact GPU-accelerated systems to accelerate iterative modeling, streamline data analysis, and push the limits of computational materials science. Our engineers are ready to help guide you in the system configuration process.

Own Your Scientific Workflow

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.
Life Sciences Software Stack - AlphaFold, AMBER MD, cryoSPARC, GROMACS, LAMMPS, UCSF Chimera, Schrödinger, NAMD, VMD, OpenMM, RELION, Boltz

Configure Workstations for Molecular & Quantum Chemistry

2x GPU AMD Ryzen 9000x Workstation

2x GPU AMD Ryzen 9000x Workstation

Starting at
$4659.60
Highlights
CPU
1x AMD Ryzen 9950x/7950x
GPU
upto 2x NVIDIA RTX PRO 6000/5000 GPU Blackwell or 1x RTX 5090/5080 GPU,s and more
MEM
1x AMD Ryzen 9000x/7000x
2x GPU AMD EPYC 90004 Workstation

2x GPU AMD EPYC 90004 Workstation

Starting at
$4659.60
Highlights
CPU
1x AMD Ryzen 9950x/7950x
GPU
upto 2x NVIDIA RTX PRO 6000/5000 GPU Blackwell or 1x RTX 5090/5080 GPU,s and more
MEM
1x AMD Ryzen 9000x/7000x
4x GPU AMD PRO Workstation

4x GPU AMD PRO Workstation

Starting at
$4659.60
Highlights
CPU
1x AMD Ryzen 9950x/7950x
GPU
upto 2x NVIDIA RTX PRO 6000/5000 GPU Blackwell or 1x RTX 5090/5080 GPU,s and more
MEM
1x AMD Ryzen 9950x/7950x

GPU Servers for Molecular & Quantum Chemistry

2x GPU Intel Xeon
W-2400X Workstation

2x GPU Intel Xeon
W-2400X Workstation

VWS-173807702
Starting at
$4659.60
Highlights
CPU
1x Intel Xeon W-2400X GPU
GPU
Up to 2x NVIDIA RTX Pro 6000
(Blackwell) or 1x RTX 5090/5080
GPUs, and additional options
MEM
8x DDR5 ECC (Up to 1TB)
4x GPU Intel Xeon
W-3500X Workstation

4x GPU Intel Xeon
W-3500X Workstation

VWS-107355433
Starting at
$4659.60
Highlights
CPU
1x Intel Xeon W-3500X / W-3400X
GPU
Up to 4x NVIDIA RTX Pro 6000
(Blackwell) or 2x RTX 5090/5080,
and additional configurations
MEM
1x AMD Ryzen 9000x/7000x
4x GPU Dual 4th/5th
Gen Intel Xeon

4x GPU Dual 4th/5th
Gen Intel Xeon

VWS-173807702
Starting at
$4659.60
Highlights
CPU
1x AMD Ryzen 9000x/7000x
GPU
upto 2x NVIDIA RTX PRO 6000/5000
GPU Blackwell or 1x RTX 5090/5080
GPU,s and more
MEM
1x AMD Ryzen 9000x/7000x

Powering Any Stage of the Material Science Workflow

Atomistic Simulation

Atomistic Simulation

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

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.

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.

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 with Exeton
as You Grow

Purpose-built for Life Science research and innovation, Exeton Rack-Scale HPC Clusters deliver the computational density and efficiency required for molecular dynamics, protein folding, and structural biology. Our rack deployment is fully configurable to your budget and computing needs, providing scalable, reproducible, and organized performance for advanced analysis in a large team environment.
Exeton RackEXpress 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 (eg. TrinityX), delivery, assembly, and more.

Exeton Rack Scale Clusters
Exeton Life Science Enterprise Solution Brief
Documents

Exeton 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.

Talk us Today

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