The landscape of accessibility, inclusivity, and visibility in computational chemistry is shaped by both longstanding barriers and innovative efforts to address them. While computational chemistry has made significant strides in expanding access and participation, persistent challenges related to gender, race, and structural inequities remain central concerns.

Accessibility in computational chemistry encompasses both the technical and educational dimensions. As digital platforms and computational tools become central to chemical research and education, ensuring that these resources are accessible to all users, including those with disabilities and limited financial and computational resources, is critical. Recent works have started to put focus on making quantum chemistry calculations easier to set up, exploiting virtual assistants and voice control [1] or large language models [2]. In addition, computational chemistry and in particular quantum chemistry and quantum dynamics have seen a stronger effort towards developing fully open source and freely available software [3,4] with also pushing towards more accurate highly efficient quantum chemistry calculations [5].

Inclusivity efforts in computational chemistry have gained momentum, particularly regarding gender, race, and geographic diversity. Despite progress, women and underrepresented minorities remain disproportionately absent from higher academic and leadership positions, continuing to face obstacles in computational chemistry and related STEM fields. Examplary, the Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY) has fostered a diverse community [6]: 42% of its faculty are women, and more than two-thirds of its nearly 900 undergraduate trainees are women, with one-quarter identifying as students of color.  Explanations for women's underrepresentation in math-intensive sciences have often focused on discrimination in hiring and evaluation. However, a review of two decades of data [7] suggests that current disparities are more closely linked to differences in resources and life choices shaped by broader social and institutional factors. Further explorations [8] find, how family ties, such as parental and marital status, differently affect tenure and promotion outcomes for women and men in academia. The ongoing underrepresentation of Black, Indigenous, and people of color (BIPOC) in STEM can be attributed to persistent bias, discrimination, and inadequate institutional policies [9]. Several groups propose practical guidelines for building antiracist labs, emphasizing the need for cultural change, mentorship, and equitable policy implementation to create genuinely inclusive scientific environments [9]. For the retention of (in particular) Black talent, it is argued that efforts need to start at the undergraduate level, pedagogy needs to be inclusive and partnerships with admission are key [10].

Visibility is closely linked to both accessibility and inclusivity. The increased representation of women and minority scientists in computational chemistry—through dedicated conferences, special journal issues, and leadership roles—has begun to shift perceptions and inspire new generations. While the proportion of women in computational chemistry has risen to around 25%, outpacing some neighboring fields, persistent disparities in pay, leadership opportunities, and grant funding remain. Retention strategies also often highlight visibility as a central pillar [10,11]. Addressing these issues requires not only policy changes but also intentional efforts to amplify the achievements and voices of underrepresented scientists.