We investigate the formation of the first primordial star clusters from hig
h-a perturbations in a cold dark matter-dominated universe. For this purpos
e, we have developed a powerful two-level hierarchical cosmological code wi
th a realistic and robust treatment of multispecies primordial gas chemistr
y, paying special attention to the formation and destruction of H-2 molecul
es, nonequilibrium ionization, and cooling processes. We performed three-di
mensional simulations at small scales and at high redshifts and find that?
analogous to simulations of large-scale structure, a complex system of void
s, filaments, sheets, and spherical knots form at the intersections of fila
ments. On the total mass scales covered by our simulations (1 x 10(5) to 1
x 10(9) M-.), which collapse at redshifts z > 25, we find that only within
the spherical knots can enough H-2 be formed (n(H2)/n(H) greater than or si
milar to 5 x 10(-4)) to cool the gas appreciably. The time dependence of th
e formation of H-2 molecules and the final H-2 fraction in the simulations
agree with the theoretical predictions of Abel and Tegmark et al. remarkabl
y well. Using a different H-2 cooling function (that of Lepp & Shull), we r
epeat the calculations of Tegmark et al. We find a minimum mass that is abl
e to collapse and cool via H-2 for a given redshift that is an order of mag
nitude lower than that found by Tegmark et al. Furthermore, we discuss the
possible implications for theories of primordial star formation from the ex
tensive merging of small structure inherent in hierarchical models. In our
simulation, typically only 5%-8% percent of the total baryonic mass in the
collapsing structures is found to cool significantly. Assuming the Padoan m
odel for star formation, our results would predict the very first stellar s
ystems to be as small as similar to 50 M-.. Some implications for primordia
l globular cluster formation scenarios are also discussed.