Perspectives on biological growth and remodeling. by Ambrosi, D, Ateshian, G, Arruda, E, Cowin, S, Dumais, J, Goriely, A, Holzapfel, G, Humphrey, J, Kemkemer, R, Kuhl, E, Olberding, J, Taber, L, Garikipati, K

“…Many aspects of these problems are now well-understood, yet there remain areas in need of significant development from the standpoint of experiments, theory, and computation. In this perspective paper we review the state of the field and highlight open questions, challenges, and avenues for further development.…”

What is quantum computation? by Ekert, A, Hayden, P, Inamori, H, Oi, D

“…When quantum effects become important, for example, at the level of single atoms and photons, the classical theory of computation becomes fundamentally inadequate. Entirely new modes of computation and information processing become possible. …”

Structure and conductivity of ionomer in PEM fuel cell catalyst layers: a model-based analysis by W. Olbrich, T. Kadyk, U. Sauter, M. Eikerling, J. Gostick

Get full text

Prediction of Excited-State Energies and Singlet–Triplet Gaps of Charge-Transfer States Using a Restricted Open-Shell Kohn–Sham Approach by Hait, Diptarka, Zhu, Tianyu, McMahon, David Paul, Van Voorhis, Troy

Get full text
Get full text
Get full text

Half-Projected σ Self-Consistent Field For Electronic Excited States by Ye, Hongzhou, Van Voorhis, Troy

Get full text

Consistent Force Field Captures Homolog Resolved HP1 Phase Separation by Latham, Andrew P, Zhang, Bin

Get full text

Prediction of [superscript 57] Fe Mossbauer Parameters by Density Functional Theory: A Benchmark Study by Bochevarov, Arteum D., Friesner, Richard A., Lippard, Stephen J.

Get full text
Get full text

A funneled conformational landscape governs flavivirus fusion peptide interaction with lipid membranes by Marzinek, Jan Kazimierz, Bag, Nirmalya, Huber, Roland G., Holdbrook, Daniel A., Wohland, Thorsten, Verma, Chandra Shekhar, Bond, Peter John

Get full text

A bottom-up coarse-grained model for nucleosome–nucleosome interactions with explicit ions by Sun, Tiedong, Minhas, Vishal, Mirzoev, Alexander, Korolev, Nikolay, Lyubartsev, Alexander P., Nordenskiöld, Lars

Get full text

The Complexity of Decision Versus Search by Bellare, Mihir, Goldwasser, Shafi

“…The fact that search does reduce to decision for SAT and other NP-complete problems (self-reducibility) is among the most well known facts in the theory of computation. But the general question of whether search reduces to decision for every language in NP remains open. …”
Get full text

Verifiably Secure Devices by Lepinski, Matt, Micali, Silvio, Izmalkov, Sergei

Get full text

Revenue in Truly Combinatorial Auctions and Adversarial Mechanism Design by Micali, Silvio, Valiant, Paul

Get full text

Electric Double Layer Effects in Electrocatalysis: Insights from Ab Initio Simulation and Hierarchical Continuum Modeling by Peng Li, Yuzhou Jiao, Jun Huang, Shengli Chen

Get full text

A Reliable Broadcast Scheme for Sensor Networks by Livadas, Carolos, Lynch, Nancy A.

Get full text

Machines, Logic and Quantum Physics by Deutsch, D, Ekert, A, Lupacchini, R

“…Recent progress in the quantum theory of computation has provided practical instances of this, and forces us to abandon the classical view that computation, and hence mathematical proof, are purely logical notions independent of that of computation as a physical process. …”

Exploring the Observability of Surviving Companions of Stripped-envelope Supernovae: A Case Study of Type Ic SN 2020oi by Hsin-Pei Chen, Shiau-Jie Rau, Kuo-Chuan Pan

Get full text

Interaction of an Archimedean spiral structure with orbital angular momentum light by R M Kerber, J M Fitzgerald, X Xiao, S S Oh, S A Maier, V Giannini, D E Reiter

Get full text

Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models by Liu, Fang, Luehr, Nathan, Martínez, Todd J., Kulik, Heather Janine

Get full text
Get full text

Systematic Quantum Mechanical Region Determination in QM/MM Simulation by Karelina, Maria, Kulik, Heather Janine

Get full text
Get full text

Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies by Saritas, Kayahan, Mueller, Tim, Wagner, Lucas, Grossman, Jeffrey C.

Get full text
Get full text
Get full text