XtalGazer®
Turning Prediction into Solid Form Performance
Discover How We De-risk your Solid Form
XtalGazer: Using Predictive Computational Tools to Transform Solid State Research into a Precise Rational Science
At XtalGazer, we combine cutting-edge computational chemistry with comprehensive, automation-enhanced wet lab experimentation to deliver faster, deeper, and more reliable solid state insights. Our integrated approach ensures every stable form is identified, understood, and de-risked.
XtalGazer Platform: From Molecule to Solid Form
XtalGazer Platform:
From Molecule to Solid Form
Time and material efficient experiments
Structural elucidation of any discovered form
Confirmation of the stable form with CSP
Tech transfer a robust DS crystallization process
Unique Benefits of the XtalGazer Approach
Complete Risk Coverage
AI and Automation Powered Efficiency
Rapid Structure Elucidation
Proven Expertise
Flexible Partnership
Our Unique Benefits
Complete Risk Coverage
Complete Risk Coverage
Up to 98% coverage of stable solid forms through an integrated empirical and computational de-risking approach. No surprises left undiscovered.
AI and Automation Powered Efficiency
AI and Automation Powered Efficiency
Physics-based and machine-learning models predict the most probable experimental conditions, paired with proprietary automation to accelerate studies and maximize throughput.
Rapid Structure Elucidation
Rapid Structure Elucidation
In-house single-crystal XRD and MicroED, supported by an expert crystallography team, enable fast structural determination and clear structure–property insight.
Proven Expertise
Proven Expertise
A seasoned solid-state team with over a decade of experience and more than 1,500 successful projects delivered.
Flexible Partnership
Flexible Partnership
Service- and software-based partnerships with study designs tailored to your scientific objectives, timelines, and budget.
Our Unique Benefits
Our Unique Benefits
News & Updates
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2026-07-03
XtalPi Solid State Team Invited to Author CSP Chapter in Comprehensive Medicinal Chemistry IV XtalPi Solid State Team Invited to Author CSP Chapter in Comprehensive Medicinal Chemistry IV
XtalPi’s Solid-State Development team has been invited to author Chapter 2.24, “Prediction of Small Molecule Crystal Structures,” in the newly released Comprehensive Medicinal Chemistry, 4th Edition (Elsevier, 2026).
2026-06-17
XtalGazer Continues Sponsorship of the 2026 GRC Crystal Engineering Conference XtalGazer Continues Sponsorship of the 2026 GRC Crystal Engineering Conference
XtalGazer is a proud continuing sponsor of the 2026 GRC Crystal Engineering Conference! 📅 Dates: June 21 – 26, 2026 📍 Venue: Newry, Maine, USA
2026-05-11
Meeting XtalGazer at the 41st APSTJ (Japan) Meeting XtalGazer at the 41st APSTJ (Japan)
We are excited to announce that XtalPi Solid State Team will be attending the 41st Annual Meeting of the Academy of Pharmaceutical Science and Technology, Japan (APSTJ)  from June 3–5,…
2026-04-27
Why Crystal Structure Prediction is Like Building a LEGO Firetruck Why Crystal Structure Prediction is Like Building a LEGO Firetruck
Picture this: you are sitting cross-legged on your bedroom floor, surrounded by a chaotic pile of LEGO pieces with the instruction manual open in your lap. You are only one…
2026-04-20
Understanding Avibactum Tomilopil Form I: A Rare Pharmaceutical Mesophase Understanding Avibactum Tomilopil Form I: A Rare Pharmaceutical Mesophase
Most drugs like to play by the rules, forming neat, crystalline solids. But there exists a pharmaceutical oddity with properties of both solid and liquid states of matter called a…
2025-08-06
XtalPi Inaugural Solid-State Symposium XtalPi Inaugural Solid-State Symposium
Recently, XtalPi’s Somerville site was buzzing with industry experts, partners, and peers who joined us for our inaugural Solid-State Symposium and a first look at our new solid-state lab!
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See every possibility. Mitigate every risk. Move forward with confidence.
That is the power of XtalGazer
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