150. T.-C. Jagau and A.I. Krylov
Complex absorbing potential equation-of-motion coupled-cluster method yields smooth and internally consistent potential energy surfaces and lifetimes for molecular resonances
J. Phys. Chem. Lett. 5, 3078 – 3085 (2014) Abstract  PDF Supporting info

149. S. Matsika, X. Feng, A.V. Luzanov, and A.I. Krylov
What we can learn from the norms of one-particle density matrices, and what we can't: Some results for interstate properties in model singlet fission systems
J. Phys. Chem. A 118, 11943 – 11955 (2014) Abstract  PDF Supporting info

148. K.Z. Ibrahim, S.W. Williams, E. Epifanovsky, and A.I. Krylov
Analysis and tuning of libtensor framework on multicore architectures
Proceedings of 21st Annual IEEE International Conference on High Performance Computing (HiPC 2014), 1 – 10 (2014) Abstract  PDF 

147. X. Feng, A.B. Kolomeisky, and A.I. Krylov
Dissecting the effect of morphology on the rates of singlet fission: Insights from theory
J. Phys. Chem. C 118, 19608 – 19617 (2014) Abstract  PDF Supporting info

146. S. Gozem, F. Melaccio, A. Valentini, M. Filatov, M. Huix-Rotllant, N. Ferre, L.M. Frutos, C. Angeli, A.I. Krylov, A. Granovsky, R. Lindh, and M. Olivucci
Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection
J. Chem. Theor. Comp. 10, 3074 – 3084 (2014) Abstract  PDF Supporting info

145. D. Zuev, T.-C. Jagau, K.B. Bravaya, E. Epifanovsky, Y. Shao, E. Sundstrom, M. Head-Gordon, and A.I. Krylov
Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks
J. Chem. Phys. 141, 024102 (2014) Abstract  PDF 

144. R.B. Vegh, K.B. Bravaya, D.A. Bloch, A.S. Bommarius, L.M. Tolbert, M. Verkhovsky, A.I. Krylov, and K.M. Solntsev
Chromophore photoreduction in red fluorescent proteins is responsible for bleaching and phototoxicity
J. Phys. Chem. B 118, 4527 – 4534 (2014) Abstract  PDF Supporting info

143. A.B. Kolomeisky, X. Feng, and A.I. Krylov
A simple kinetic model for singlet fission: A role of electronic and entropic contributions to macroscopic rates
J. Phys. Chem. C 118, 5188 – 5195 (2014) Abstract  PDF 

142. T.-C. Jagau, D. Zuev, K.B. Bravaya, E. Epifanovsky, and A.I. Krylov
A fresh look at resonances and complex absorbing potentials: Density matrix based approach
J. Phys. Chem. Lett. 5, 310 – 315 (2014) Abstract  PDF Supporting info

141. B. Hirshberg, R.B. Gerber, and A.I. Krylov
Calculations predict a stable molecular crystal of N8
Nature Chem. 6, 52 – 56 (2014) Abstract  PDF Supporting info