Preprint
Sep 2026
Progress towards practical powder X-ray diffraction (PXRD) structure determination requires evaluation beyond small crystals and idealized patterns. X2SBench combines 152,587 simulated structure-pattern pairs with 591 curated measurements, extending evaluation to larger cells, lower-symmetry structures and diverse comp...
Zhi-Yuan Gao, Jun-Cheng Xiao, Shu-Chen Pu et al.
· 0 citations
Save
{ copied = true; setTimeout(() => copied = false, 1500) })"
class="icon-btn" aria-label="Copy link">
{ copied = 'apa'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy APA
Copied ✓
{ copied = 'mla'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy MLA
Copied ✓
{ copied = 'bibtex'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy BibTeX
Copied ✓
Book
Open access
Aug 2026
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.
· Proceedings of the 32nd ACM... · 0 citations
Save
{ copied = true; setTimeout(() => copied = false, 1500) })"
class="icon-btn" aria-label="Copy link">
{ copied = 'apa'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy APA
Copied ✓
{ copied = 'mla'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy MLA
Copied ✓
{ copied = 'bibtex'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy BibTeX
Copied ✓
Book
Open access
Aug 2026
The proposed Chem-R, a general Chemical Reasoning model designed to emulate the deliberative processes of chemists, achieves state-of-the-art performance on comprehensive benchmarks, surpassing leading LLMs, including Gemini-3-Pro and Kimi-k2.5.
Weida Wang, Benteng Chen, Di Zhang et al.
· Proceedings of the 32nd ACM... · 0 citations
Save
{ copied = true; setTimeout(() => copied = false, 1500) })"
class="icon-btn" aria-label="Copy link">
{ copied = 'apa'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy APA
Copied ✓
{ copied = 'mla'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy MLA
Copied ✓
{ copied = 'bibtex'; setTimeout(() => { copied = null; open = false }, 1000) })"
class="flex w-full items-center justify-between rounded-lg px-3 py-2 text-left text-sm hover:bg-gray-100 dark:hover:bg-ink-800">
Copy BibTeX
Copied ✓