вот здесь самый известный из самых последних экспериментов (там полный текст статьи доступен свободно справа)

Experimental setup. The Bell experiment was carried out between the islands of La Palma and Tenerife at an altitude of 2,400 m. (La Palma) A 405-nm laser diode (LD) pumped a periodically poled potassium titanyl phosphate (ppKTP) crystal in a polarization-based Sagnac interferometer, to generate entangled photon pairs in the - singlet state. One photon per pair was sent through a 6-km-long, coiled optical single-mode fiber (SMF) to Alice (located next to the source). Alice’s polarization analyzer consisted of half- and quarter-wave plates (HWP, QWP), an electro-optical modulator (EOM), a polarizing beam splitter (PBS) and two photodetectors (DT, DR). A quantum random number generator (30) (QRNGA) located at a distance of 1.2 km, consisting of a light-emitting diode (LED), a 50/50 beam splitter (BS), and two photomultipliers (PMs), generated random bits which were sent to Alice via a 2.4 GHz radio link. The random bits were used to switch the EOM, determining if the incoming photon was measured in the 22.5°/112.5° or 67.5°/157.5° linear polarization basis. A time-tagging unit (TTU), locked to the global positioning system (GPS) time standard and compensated (31) for small drifts up to 10 ns, recorded every detection event (arrival time, detector channel, and setting information) onto a local hard disk. The other photon was guided to a transmitter telescope and sent through a 144-km optical free-space link to Bob on Tenerife. (Tenerife) The incoming photon was received by the 1-m optical ground station (OGS) telescope of the European Space Agency. At Bob’s polarization analyzer (triggered by an equal but independent quantum random number generator QRNGB), the photons were measured in either the horizontal (0°)/vertical (90°), or the 45°/135° linear polarization basis. Bob’s data acquisition was equivalent to Alice’s. (See also Materials and Methods for details.) (Geographic pictures taken from Google Earth, ©2008 Google, Map Data ©2008 Tele Atlas.)

Допустим импульса и координаты электрона в орбитали

Вам надо наверное сформудировать некий макроскопически детектируемый признак передачи квантовой информации который потом отлавливать.

статьи хорватина (знай наших, балканцеф) Влатко Ведрал

Quantum physics meets biology

... and Vlatko Vedral

Quantum physics and biology have long been regarded as unrelated disciplines, describing nature at the inanimate microlevel on the one hand and living species on the other hand. Over the past decades the life sciences have succeeded in providing ever more and refined explanations of macroscopic phenomena that were based on an improved understanding of molecular structures and mechanisms. Simultaneously, quantum physics, originally rooted in a world-view of quantum coherences, entanglement, and other nonclassical effects, has been heading toward systems of increasing complexity. The present perspective article shall serve as a “pedestrian guide” to the growing interconnections between the two fields. We recapitulate the generic and sometimes unintuitive characteristics of quantum physics and point to a number of applications in the life sciences. We discuss our criteria for a future “quantum biology,” its current status, recent experimental progress, and also the restrictions that nature imposes on bold extrapolations of quantum theory to macroscopic phenomena.

Living in a Quantum World. Там указано на последние надёжно застуканные достижения, концовка статьи совершенно замечательная: глаголит о том, о чем я здесь долдоню уже несколько лет - пространство и время скорее суть макроскопические следствия нелокальных энтанглментов

Quantum Black Holes and pseudotelepathy in biological organisms

Author: Monendra Grover, ; Ritu Grover

Abstract:

Superposed state of quantum registers can be used to describe inflationary universe. One can speak of a quantum superposition of universes during inflation. It has been proposed by Zizzi that a cosmic consciousness event happened at the end of inflation which acted as a blueprint for the future minds to come. The post inflationary universe organized itself into quantum and classical modes. I propose in this paper that biological organisms can be viewed as quantum computer and black hole quantum computers which organize themselves into quantum and classical modes. The biological organisms can be further subdivided into various subroutines. It is further suggested in this paper that the results of the computation by biological organisms are the universals which are partially similar to the universals obtained by quantum computation in the universe. This is reminiscent of the situation in the hologram. Ialso suggest that biological organisms are deSitter horizons of actual organisms which exist in multidimensional space. The biological networks may use quantum telepathy for co-coordinated activity.

Journal: International Journal on Computer Science and Engineering

Вопрос к здешним экспертам: химическим реакциям нужен ли градиент температуры или поток энергии?

Будете симулировать в вакууме или в воде? Воду будете явным опразом прорисовывать?

Это не ответ. Вы должны определиться каким образом учитываете воду в расчетах. В зависимости от этого определится какие вычислительные мощности нужны (лаптоп или суперкомпьютер) и какие максимальные времена и расстояния реально рассмотреть

Игорь, погодите, пока в журнале В Мире Науки выдет перевод

статьи хорватина (знай наших, балканцеф) Влатко Ведрал Living in a Quantum World.

О каких ... каких временах ... идет ресь

Это тоже неточная формулировка. надо бы определиться конкретнее, то ли это фемтосекунды, то ли пикосекунды, то ли что-то другое.

Although we have applied these methods on simulation trajectories of a modest time scale (20 ns each), we emphasize that our methodology provides a general approach towards an objective clustering of large-scale MD simulation data and may be applied to probe multistate equilibria at higher time scales...

Although we have applied these methods on simulation trajectories of a modest time scale (20 ns each), we emphasize that our methodology provides a general approach towards an objective clustering of large-scale MD simulation data and may be applied to probe multistate equilibria at higher time scales...

Есть одна закавыка - он под линух. Но гения это не должно остановить

Но что именно методом молекулярной динамики рассчитывать будете?

Боюсь что метод молекулярной динамики основывается на усреднениях, которые не позволяют отлавливать квантовые эффекты

AutoDock suite of automated docking tools,
Autodock Vina improved local search algorithm, suite of automated docking tools,
Abalone (classical, implicit water)
ABINIT (DFT)
ACEMD (running on NVIDIA GPUs: heavily optimized with CUDA)
ADUN (classical, P2P database for simulations)
AMBER (classical)
Ascalaph (classical, GPU accelerated)
CASTEP (DFT)
CPMD (DFT)
CP2K (DFT)
CHARMM (classical, the pioneer in MD simulation, extensive analysis tools)
COSMOS (classical and hybrid QM/MM, quantum-mechanical atomic charges with BPT)
Desmond (classical, parallelization with up to thousands of CPU's)
Culgi (classical, OPLS-AA, Dreiding, Nerd, and TraPPE-UA force fields)
DL_POLY (classical)
ESPResSo (classical, coarse-grained, parallel, extensible)
Fireball (tight-binding DFT)
GPIUTMD (classical, accelerated by GPUs, optimized with CUDA)
GROMACS (classical)
GROMOS (classical)
GULP (classical)
Hippo (classical)
HOOMD-Blue (classical, accelerated by NVIDIA GPUs, heavily optimized with CUDA)
Kalypso MD simulation of atomic collisions in solids
LAMMPS (classical, large-scale with spatial-decomposition of simulation domain for parallelism)
LPMD Las Palmeras Molecular Dynamics: flexible an modular MD.
MacroModel (classical)
MACSIMUS (classical, polarizability, thread-based parallelization)
MDynaMix (classical, parallel)
MOLDY (classical, parallel) latest release
Materials Studio (Forcite MD using COMPASS, Dreiding, Universal, cvff and pcff forcefields in serial or parallel, QMERA (QM+MD), ONESTEP (DFT), etc.)
MOSCITO (classical)
NAMD (classical, parallelization with up to thousands of CPU's)
nano-Material Simulation Toolkit
NEWTON-X (ab initio, surface-hopping dynamics)
ORAC (classical)
ProtoMol (classical, extensible, includes multigrid electrostatics)
PWscf (DFT)
RedMD (coarse-grained simulations package on GNU licence)
S/PHI/nX (DFT)
SIESTA (DFT)
Tremolo-X
VASP (DFT)
TINKER (classical)
YASARA (classical)
XMD (classical)

Если следовать Вашей логике - у нас на кафедре сплошные нобелевские лауреаты (причем среди студентов) - у нас целый компьютерный класс под линухом

Это була шутка

Вы шо думаете я об этом не подумал

почему там в скобках для некоторых прог пишется DFT ? :

И что надумали?

DFT - density functional theory

А теперь посмотрите для чего она используется

HyperChem — Профессиональная программа для квантово-химического моделирования молекул

HyperChem — Профессиональная программа для квантово-химического моделирования молекул

There are a number of programs in which quantum chemical calculations of MOs can be performed, including Spartan and HyperChem.

HyperChem — Профессиональная программа для квантово-химического моделирования молекул

Но там квантовые эффекты учитываются усредненно

пока что не вижу конкретно что Вы хотите рассчитать для того чтобы споймать квантовую сцепленность

Но там квантовые эффекты учитываются усредненно

Это как такое может быть ? Ведь написано что программа профессиональная

А в гауссиане что - тоже усреднено ?